2-(吡啶-3-基氧基)-苯胺 | 76167-49-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-(吡啶-3-基氧基)-苯胺
• 中文别名: 2-(吡啶-3-基氧基)苯胺
• 英文名称: 2-(3-pyridinyloxy)benzenamine
• 英文别名: 3-(o-aminophenoxy)pyridine；2-(3-pyridyloxy)aniline；2-[3]pyridyloxy-aniline；2-[3]Pyridyloxy-anilin；2-(Pyridin-3-yloxy)aniline；2-pyridin-3-yloxyaniline
• CAS: 76167-49-2
• 化学式: C₁₁H₁₀N₂O
• 分子量: 186.213
• InChiKey: TXZXPJOTSAXPBZ-UHFFFAOYSA-N

物化性质

• 熔点：
  68-70 °C
• 沸点：
  125-127 °C(Press: 0.3 Torr)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-(Pyridin-3-Yloxy)Aniline
: CBR00538
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.

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
Skin sensitisation (Category 1), H317
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
Xn Harmful R22
R43
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)
Harmful if swallowed.
May cause an allergic skin reaction.
Precautionary statement(s)
Wear protective gloves.
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 186,22 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-(Pyridin-3-Yloxy)Aniline
Acute Tox. 4; Skin Sens. 1; <= 100 %
H302, H317
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
2-(Pyridin-3-Yloxy)Aniline
Xn, R22R43 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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
Flush eyes with water as a precaution.
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

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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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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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. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
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.

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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.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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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
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation 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

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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
No data available
Incompatible materials
No data available
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
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
No data available
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

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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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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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.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(吡啶-3-基氧基)-苯胺 在 硫酸 、 水 、 sodium nitrite 作用下， 生成 benzofuro[3,2-b]pyridine
  参考文献：
  名称：

  Base-catalyzed rearrangement of N-(aryloxy)pyridinium salts. Effect of a 3-substituent in the pyridine ring upon orientation. Synthesis of novel tricyclic rings

  摘要：

  DOI：

  10.1021/jo00153a014
• 作为产物：
  描述：

  3-羟基吡啶 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(吡啶-3-基氧基)-苯胺
  参考文献：
  名称：

  2-（2- [3-（吡啶-3-基氧基）苯基] -2H-四唑-5-基）吡啶：一种高效，口服活性，代谢型谷氨酸亚型5（mGlu5）受体拮抗剂。

  摘要：

  对3-（5-吡啶-2-基-2H-四唑-2-基）苄腈2的构效关系的研究导致了2-（2- [3-（吡啶-3-基氧基）苯基]-的发现。 2H-四唑-5-基）吡啶（10）-一种高效且选择性的mGlu5受体拮抗剂，在大鼠和跨物种口服生物利用度中具有良好的脑部渗透性和体内受体占有率。

  DOI：

  10.1016/j.bmcl.2004.09.012

文献信息

• [EN] HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LA MODULATION DE NR2F6
  申请人：TES PHARMA S R L

  公开号：WO2021170658A1

  公开（公告）日：2021-09-02

  The present disclosure relates to compounds capable of modulating the activity of NR2F6. The compounds of the disclosure may be used in methods for the prevention and/or the treatment of diseases and disorders associated with modulating NR2F6 activity.

  本公开涉及能够调节NR2F6活性的化合物。本公开的化合物可用于预防及/或治疗与调节NR2F6活性相关疾病和障碍的方法。
• 2-{2-[3-(Pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl}pyridine: a highly potent, orally active, metabotropic glutamate subtype 5 (mGlu5) receptor antagonist
  作者：Dehua Huang、Steve F. Poon、Deborah F. Chapman、Janice Chung、Merryl Cramer、Thomas S. Reger、Jeffrey R. Roppe、Lida Tehrani、Nicholas D.P. Cosford、Nicholas D. Smith

  DOI：10.1016/j.bmcl.2004.09.012

  日期：2004.11

  on 3-(5-pyridin-2-yl-2H-tetrazol-2-yl)benzonitrile 2 led to the discovery of 2-(2-[3-(pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl)pyridine (10)-a highly potent and selective mGlu5 receptor antagonist with good brain penetration and in vivo receptor occupancy in rat and cross-species oral bioavailability.

  对3-（5-吡啶-2-基-2H-四唑-2-基）苄腈2的构效关系的研究导致了2-（2- [3-（吡啶-3-基氧基）苯基]-的发现。 2H-四唑-5-基）吡啶（10）-一种高效且选择性的mGlu5受体拮抗剂，在大鼠和跨物种口服生物利用度中具有良好的脑部渗透性和体内受体占有率。
• Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes
  申请人：Heraeus Precious Metals North America Conshohocken LLC

  公开号：US11289238B2

  公开（公告）日：2022-03-29

  A solvent-free electroconductive composition may be used to make electroconductive lines on a surface of a substrate or electroconductive plugs within via holes of a substrate. The solvent-free electroconductive composition is generally made of about 40 to about 95 wt % of a conductive component, about 4 to about 30 wt % of a polymer or oligomer comprising a reactive functional group, up to about 20 wt % of a monomeric diluent comprising a reactive functional group, and up to about 3 wt % of a curing agent. In some instances, the solvent-free electroconductive composition further includes up to about 3 wt % of a lubricating compound. Substrates made using solvent-free electroconductive compositions may be used in printed circuit boards, integrated circuits, solar cells, capacitors, resistors, thermistors, varistors, resonators, transducers, inductors, and multilayer ferrite beads.

  无溶剂导电组合物可用于在基材表面制作导电线或在基材通孔内制作导电塞。无溶剂导电组合物一般由约 40 至约 95 wt % 的导电成分、约 4 至约 30 wt % 含有活性官能团的聚合物或低聚物、最多约 20 wt % 含有活性官能团的单体稀释剂和最多约 3 wt % 的固化剂组成。在某些情况下，无溶剂导电组合物还包括最多约 3 wt % 的润滑化合物。使用无溶剂导电组合物制成的基板可用于印刷电路板、集成电路、太阳能电池、电容器、电阻器、热敏电阻器、压敏电阻器、谐振器、传感器、电感器和多层铁氧体磁珠。
• Design, synthesis and structure–affinity relationships of aryloxyanilide derivatives as novel peripheral benzodiazepine receptor ligands
  作者：Taketoshi Okubo、Ryoko Yoshikawa、Shigeyuki Chaki、Shigeru Okuyama、Atsuro Nakazato

  DOI：10.1016/j.bmc.2003.10.050

  日期：2004.1

  Since the peripheral benzodiazepine receptor (PBR) has been primarily found as a high-affinity binding site for diazepam in rat kidney, numerous studies of it have been performed. However, the physiological role and functions of PBR have not been fully elucidated. Currently, we presented the pharmacological profile of two high and selective PBR ligands, N-(2,5-dimethoxybenzyl)-N-(4-fluoro-2-phenoxyphenyl)acetamide (7-096, DAA1106) (PBR: IC50 = 0.28 nM) and N-(4-chloro-2-phenoxyphenyl)-N-(2-isopropoxybenzyl)acetamide (7-099, DAA1097) (PBR: IC50=0.92 nM). The compounds are aryloxyanilide derivatives, and identified with known PBR ligands such as benzodiazepine (1, Ro5-4864), isoquinoline (2, PK11195), imidazopyridine (3, Alpidem), and indole (5, FGIN-1-27) derivatives. The aryloxyanilide derivatives, which have been derived by opening the diazepine ring of 1, are a novel class as PBR ligands and have exhibited high and selective affinity for peripheral benzodiazepine receptors (PBRs). These novel derivatives would be useful for exploring the functions of PBR. In this paper, the design, synthesis and structure-affinity relationships of aryloxyanilide derivatives are described. (C) 2003 Elsevier Ltd. All rights reserved.
• Garanti, Luisa; Molteni, Giorgio; Zecchi, Gaetano, Journal of Chemical Research - Part S, 1995, # 7, p. 276 - 277
  作者：Garanti, Luisa、Molteni, Giorgio、Zecchi, Gaetano

  DOI：——

  日期：——