盐酸羟胺-15N - CAS号 40711-48-6

物化性质

熔点：

155-157 °C(lit.)
溶解度：

DMSO（少量溶解）、甲醇（极少量）、水（少量溶解）

计算性质

辛醇/水分配系数(LogP)：

-0.24
重原子数：

3
可旋转键数：

0
环数：

0.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

46.2
氢给体数：

3
氢受体数：

2

安全信息

安全说明：

S22,S24,S26,S37,S45,S61
危险类别码：

R5,R48/22,R20/21,R40,R42/43,R34,R25
WGK Germany：

3
危险品运输编号：

UN 2923 8/PG 2
储存条件：

室温

SDS

SDS：7be25da5939632b27584c87322094a2f

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Hydroxylamine-15N hydrochloride
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 40711-48-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Corrosive to metals (Category 1), H290
Acute toxicity, Oral (Category 4), H302
Specific target organ toxicity - repeated exposure (Category 2), H373
Eye irritation (Category 2), H319
Skin irritation (Category 2), H315
Skin sensitisation (Category 1), H317
Acute aquatic toxicity (Category 1), H400
Carcinogenicity (Category 2), H351
Acute toxicity, Dermal (Category 4), H312
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
E Explosive R2
R40
Xn Harmful R21/22, R48/22
Xi Irritant R36/38
R43
N Dangerous for the R50
environment
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H290 May be corrosive to metals.
H302 Harmful if swallowed.
H312 Harmful in contact with skin.
H315 Causes skin irritation.
H317 May cause an allergic skin reaction.
H319 Causes serious eye irritation.
H351 Suspected of causing cancer.
H373 May cause damage to organs through prolonged or repeated exposure.
H400 Very toxic to aquatic life.
Precautionary statement(s)
P273 Avoid release to the environment.
P280 Wear protective gloves/ protective clothing.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Formula : H315NO · HCl
Molecular Weight : 70,48 g/mol
CAS-No. : 40711-48-6
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Hydroxylamine-15N hydrochloride
Met. Corr. 1; Skin Irrit. 2; Eye -
Irrit. 2; Skin Sens. 1; Carc. 2;
STOT RE 2; Acute Tox. 4;
Aquatic Acute 1; Acute Tox. 4;
H319, H315, H373, H400,
H290, H302, H312, H317,
H351
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Hydroxylamine-15N hydrochloride
E, Xn, N, Carc.Cat.3, R 2 - -
R21/22 - R36/38 - R40 - R43 -
R48/22 - R50
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Store under inert gas. hygroscopic
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: Fine crystals and fragments
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 155 - 157 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
Air
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
Carcinogenicity
Limited evidence of carcinogenicity in animal studies
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated., Material is extremely destructive to tissue of the mucous membranes and upper
respiratory tract, eyes, and skin., spasm, inflammation and edema of the larynx, spasm, inflammation and
edema of the bronchi, pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis,
Shortness of breath, Headache, Nausea, Vomiting, Absorption into the body leads to the formation of
methemoglobin which in sufficient concentration causes cyanosis. Onset may be delayed 2 to 4 hours or
longer., May cause convulsions.

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
Very toxic to aquatic life.

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 2923 IMDG: 2923 IATA: 2923
UN proper shipping name
ADR/RID: CORROSIVE SOLID, TOXIC, N.O.S. (Hydroxylamine-15N hydrochloride)
IMDG: CORROSIVE SOLID, TOXIC, N.O.S. (Hydroxylamine-15N hydrochloride)
IATA: Corrosive solid, toxic, n.o.s. (Hydroxylamine-15N hydrochloride)
Transport hazard class(es)
ADR/RID: 8 (6.1) IMDG: 8 (6.1) IATA: 8 (6.1)
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: yes IMDG Marine pollutant: yes IATA: no
Special precautions for user
no data available

SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
Aquatic Acute Acute aquatic toxicity
Carc. Carcinogenicity
Eye Irrit. Eye irritation
H290 May be corrosive to metals.
H302 Harmful if swallowed.
H312 Harmful in contact with skin.
H315 Causes skin irritation.
H317 May cause an allergic skin reaction.
H319 Causes serious eye irritation.
H351 Suspected of causing cancer.
H373 May cause damage to organs through prolonged or repeated exposure.
H400 Very toxic to aquatic life.
Met. Corr. Corrosive to metals
Skin Irrit. Skin irritation
Full text of R-phrases referred to under sections 2 and 3
E Explosive
N Dangerous for the environment
Xn Harmful
R2 Risk of explosion by shock, friction, fire or other sources of ignition.
R21/22 Harmful in contact with skin and if swallowed.
R36/38 Irritating to eyes and skin.
R40 Limited evidence of a carcinogenic effect.
R43 May cause sensitisation by skin contact.
R48/22 Harmful: danger of serious damage to health by prolonged exposure if swallowed.
R50 Very toxic to aquatic organisms.
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

作为反应物：

描述：

盐酸羟胺-15N 在 sodium ethanolate 作用下，以乙醇为溶剂，生成 ¹⁵N-hydroxylamine

参考文献：

名称：

Imidogen 水络合物

摘要：

Imidogen (NH) 是最简单的氮氢化物，在燃烧和星际化学中起着重要作用，它与 H 2 O 的结合是涉及氮烯中间体的 O-H 键的原型酰胺化反应。在此，我们报告了对 NH 难以捉摸的水络合物的观察，这是一种与 10 K 下固体 N 2基质中的酰胺化反应相关的预反应络合物。NH···OH 2的氢键结构（相对于 HN··· HOH) 通过具有综合同位素标记（D、18 O 和15N) 和 UCCSD(T)/aug-cc-pVQZ 理论水平的量子化学计算。与在 350 nm 处观察到的吸收一致，在 365 nm 处照射复合物会导致 O-H 键插入，从而产生羟胺 NH 2 OH。

DOI：

10.1021/jacs.2c12808
作为试剂：

描述：

5-二苯并环庚烯酮在吡啶、盐酸羟胺-15N 作用下，反应 16.0h，以95%的产率得到[¹⁵N]-5H-dibenzo[a,d]cyclohepten-5-one oxime

参考文献：

名称：

低价的亚氨基铁亚氨基异氰酸酯簇：可逆的电子转移和选择性C–C偶联的催化

摘要：

具有铁-硫杂铜核心结构[Fe 4 S 4 ]的酶和辅助因子通常在自然界中作为基本催化转化中的电子转移试剂被发现。据报道，具有[Fe 4 N 4 ]核的人工杂化物可以在非常负的电势下可逆地存储多达四个电子。中性[Fe 4 N 4 ]和单个还原的低价[Fe 4 N 4 ] -分离并充分鉴定了杂合体。低价物质带有一个不成对的电子，该电子主要位于电子基态的一个铁中心，但随着温度的升高而波动。[Fe 4 N 4 ] / [Fe 4 N 4 ] -氧化还原对存储或释放的电子可用于还原性或氧化性CC耦合，甚至可进行催化一锅法反应，这表明该化合物的选择性显着提高。 [Fe 4 N 4 ]杂合子的存在。

DOI：

10.1002/anie.201505668

点击查看最新优质反应信息

文献信息

Unlocking a Diazirine Long-Lived Nuclear Singlet State via Photochemistry: NMR Detection and Lifetime of an Unstabilized Diazo-Compound

作者：Barbara Procacci、Soumya S. Roy、Philip Norcott、Norman Turner、Simon B. Duckett

DOI：10.1021/jacs.8b10923

日期：2018.12.5

relatively well-known. This work shows how hyperpolarized NMR spectroscopy can be used to characterize an unstable diazo-compound formed via photoisomerization of a 15N2-labeled silyl-ether-substituted diazirine. This diazirine is prepared in a nuclear spin singlet state via catalytic transfer of spin order from para-hydrogen. The active hyperpolarization catalyst is characterized to provide insight

Diazirines 对于光亲和标记很重要，并且它们的光异构化是相对众所周知的。这项工作展示了超极化 NMR 光谱如何用于表征通过 15N2 标记的甲硅烷基醚取代的二氮杂环丙烷的光异构化形成的不稳定重氮化合物。这种二氮杂环丙烷是通过对氢的自旋顺序的催化转移以核自旋单重态制备的。活性超极化催化剂的特征在于提供对机理的深入了解。重氮化合物的光化学异构化为重氮类似物允许探测母体化合物的 NMR 不可见核单重态。通过环加成反应用 N-苯基马来酰亚胺捕获以提供也显示单线态特征的双环吡唑啉，从而证实了重氮物种的身份。通过将实验章动行为与理论模拟进行比较，验证了重氮和重氮化合物中单重态的存在。重氮化合物的磁态寿命在室温下在 CD3OD 溶液中确定为 12 ± 1 s，而其化学寿命通过相关的超极化 NMR 研究测量为 100 ± 5 s。提出了产生光产物对 N2 的间接证据。
Selective Reduction of Aqueous Nitrate to Ammonium with an Electropolymerized Chromium Molecular Catalyst

作者：Maiko J. Askari、Jeremy D. Kallick、Charles C. L. McCrory

DOI：10.1021/jacs.3c12783

日期：2024.3.20

Cr-based molecular catalyst incorporated into a redox polymer that selectively and efficiently reduces aqueous NO3– to ammonium (NH4+), a desirable value-added fertilizer component and industrial precursor, at rates of ∼0.36 mmol NH4+ mgcat–1 h–1 with >90% Faradaic efficiency for NH4+. The NO3– reduction reaction occurs through a cascade catalysis mechanism involving the stepwise reduction of NO3– to

硝酸盐 (NO 3 – ) 是农业、工业和低浓度核废水中常见的含氮污染物，会造成严重的环境破坏。在这项工作中，我们报告了一种结合到氧化还原聚合物中的仿生铬基分子催化剂，可以选择性且有效地将含水 NO 3 –还原为铵 (NH 4 + )，这是一种理想的增值肥料成分和工业前体，其速率为 ∼ 0.36 mmol NH 4 + mg cat –1 h –1 ，NH 4 +的法拉第效率 >90%。 NO 3 -还原反应通过级联催化机制发生，涉及通过观察到的NO 2 -和NH 2 OH中间体将NO 3 -逐步还原为NH 4 + 。据我们所知，这是均相或多相分子催化剂的第一个例子，据报道，它可以将含水 NO 3 –还原为 NH 4 + ，其速率和法拉第效率与最先进的固体相当。 -态电催化剂。这项工作突出了电催化剂研究的一个有前途且之前未探索的领域，即使用含有亲氧过渡金属活性位点的复合物的聚合物催化剂复合材料进行电化学硝酸盐修复和营养回收。
Planar Boron Heterocycles with Nucleic Acid-Like Hydrogen-Bonding Motifs

作者：Michael P. Groziak、Liya Chen、Lin Yi、Paul D. Robinson

DOI：10.1021/ja963784i

日期：1997.8.1

To promote the development of boron-containing purine analogues that exist in planar, non-zwitterionic dominant structural form in aqueous solution, rigorous solution and solid state structural analyses of 1-hydroxy-1H-2,3,1-benzoxazaborine (1), 1,2-dihydro-1-hydroxy-2,3,1-benzodiazaborine (2), and related 2,3,1-benzodiheteraborines were undertaken. With the aid of isotope-enriched compounds, a multisolvent H-1, C-13, B-11, and N-15 NMR spectroscopic analysis of 1 and 2 was conducted, providing structurally-diagnostic chemical shift data for all non-oxygen atoms that constitute their heterocyclic peripheries. In addition, single-crystal X-ray diffraction analyses of 1 and 2 were performed. In stark contrast to their 2,4,1 isomeric counterparts, the 2,3,1-benzoxaza- and benzodiazaborines exist in planar structural form in protic solution and in the solid state and display proton dissociative and associative tendencies reflective of the predominant Bronsted, yet still Lewis acidic-capable character of the B-OH group together with the basic one at the C4-N3 imine group. In the solid state, 1 and 2 display intermolecular hydrogen-bonding patterns not too dissimilar from the motifs of certain natural nucleic acid bases. Diazaborine 2 was shown by VT-NMR to undergo a triple hydrogen-bonding solution association with a 2',3',5'-tri-O-protected cytidine in a demonstration of one biomimetic potential held by a 1-hydroxy-2,3,1-diheteraborine periphery. In general, 1, 2, and related 1-hydroxy-2,3,1-benzodiheteraborine heterocycles were found to be characterized by an environment-dependent O1-->N3 Bronsted prototropy and B-OH group Bronsted/Lewis acid ambidency so sensitive and subtle that certain past difficulties encountered in attempts to delineate their physicochemical properties now become readily appreciated.
Metal oxidation state and imine vibrational frequencies of reduced copper and nickel tetraimine macrocyclic ligand complexes

作者：Robert R. Gagne、D. Michael Ingle、George C. Lisensky

DOI：10.1021/ic50221a010

日期：1981.7
Water Complex of Imidogen

作者：Xiaolong Li、Bo Lu、Junjie Jiang、Lina Wang、Tarek Trabelsi、Joseph S. Francisco、Wei Fang、Mingfei Zhou、Xiaoqing Zeng

DOI：10.1021/jacs.2c12808

日期：2023.1.25

Imidogen (NH) is the simplest nitrogen hydride that plays an important role in combustion and interstellar chemistry, and its combination with H2O is the prototypical amidation reaction of O–H bonds involving a nitrene intermediate. Herein, we report the observation of the elusive water complex of NH, a prereaction complex associated with the amidation reaction in a solid N2 matrix at 10 K. The hydrogen-bonded

Imidogen (NH) 是最简单的氮氢化物，在燃烧和星际化学中起着重要作用，它与 H 2 O 的结合是涉及氮烯中间体的 O-H 键的原型酰胺化反应。在此，我们报告了对 NH 难以捉摸的水络合物的观察，这是一种与 10 K 下固体 N 2基质中的酰胺化反应相关的预反应络合物。NH···OH 2的氢键结构（相对于 HN··· HOH) 通过具有综合同位素标记（D、18 O 和15N) 和 UCCSD(T)/aug-cc-pVQZ 理论水平的量子化学计算。与在 350 nm 处观察到的吸收一致，在 365 nm 处照射复合物会导致 O-H 键插入，从而产生羟胺 NH 2 OH。

盐酸羟胺-15N | 40711-48-6

分子结构分类

物化性质

计算性质

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