1,4,8,11-四氮杂环十四烷-5,7-二酮 - CAS号 63972-19-0

物化性质

熔点：

172-176 °C (lit.)
稳定性/保质期：

遵照规定使用和储存，则不会发生分解。

计算性质

辛醇/水分配系数(LogP)：

-1.7
重原子数：

16
可旋转键数：

0
环数：

1.0
sp3杂化的碳原子比例：

0.8
拓扑面积：

82.3
氢给体数：

4
氢受体数：

4

安全信息

危险品标志：

C
安全说明：

S26,S28,S36/37/39,S45
危险类别码：

R34
海关编码：

2933990090
危险标志：

GHS05
危险品运输编号：

UN 3259 8
危险性描述：

H314
危险性防范说明：

P280,P305 + P351 + P338,P310
储存条件：

将贮藏器密封，放入一个紧闭的容器中，并存放在阴凉、干燥的地方。

SDS

SDS：a26b5260663d37186aa8f7880cc8aada

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1,4,8,11-Tetraazacyclotetradecane-5,7-dione
CAS-No. : 63972-19-0

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
Causes severe skin burns and eye damage.
Precautionary statement(s)
Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R34 Causes burns.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S28 After contact with skin, wash immediately with plenty of water.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : Dioxocyclam
Formula : C10H20N4O2
Molecular Weight : 228,29 g/mol
Component Concentration
1,4,8,11-Tetraazacyclotetradecane-5,7-dione
CAS-No. 63972-19-0 -

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
Take off contaminated clothing and shoes immediately. 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
Do NOT induce vomiting. 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
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
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
Carbon oxides, 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 vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
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.

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
hygroscopic
Specific end use(s)
no data available

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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: crystalline
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: 172 - 176 °C - lit.
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

Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Avoid moisture.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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 sensitization
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
Potential health effects
Inhalation May be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract.
Ingestion May be harmful if swallowed. Causes burns.
Skin May be harmful if absorbed through skin. Causes skin burns.
Eyes Causes eye burns.
Signs and Symptoms of Exposure
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
Additional Information
RTECS: Not available

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
no data available
Other adverse effects
no data available

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. 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: 3259 IMDG: 3259 IATA: 3259
UN proper shipping name
ADR/RID: POLYAMINES, SOLID, CORROSIVE, N.O.S. (1,4,8,11-Tetraazacyclotetradecane-5,7-dione)
IMDG: POLYAMINES, SOLID, CORROSIVE, N.O.S. (1,4,8,11-Tetraazacyclotetradecane-5,7-dione)
IATA: Polyamines, solid, corrosive, n.o.s. (1,4,8,11-Tetraazacyclotetradecane-5,7-dione)
Transport hazard class(es)
ADR/RID: 8 IMDG: 8 IATA: 8
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: no IMDG Marine Pollutant: no 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

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

1,4,8,11-四氮杂环十四烷-5,7-二酮在碘作用下，以氯仿为溶剂，生成

参考文献：

名称：

1,4,8,11-四氮杂环十四烷-5,7-二酮与碘、TCNE 和 DDQ 的电荷转移复合物的合成、表征和光谱结构研究

摘要：

摘要通过多氮环状 n-供体 1,4,8,11-四氮杂环十四烷-5,7-二酮 (TACTDD) 与 σ-受体碘、脂肪族 π 反应合成了三种新型的水性和固体电荷转移复合物。 -受体四氰基乙烯 (TCNE) 以及芳香族 π-受体 2,3-二氯-5,6-二氰基-1,4-苯醌 (DDQ) 使用氯仿作为介质溶剂。CT-溶液复合物的光度滴定测量证实，TACTDD-I2 和 TACTDD-TCNE 反应的供体与受体之比为 1:2，而 TACTDD-DDQ 反应为 1:1。形成的 CT 固体的元素、热和红外测量支持这些反应化学计量。因此，反应产物被公式化为 [(TACTDD) I]⋅I3、[(TACTDD)(TCNE)2] 和 [(TACTDD)(DDQ)]。取代基的影响，

DOI：

10.1016/j.molstruc.2010.07.017
作为产物：

描述：

N,N'-二(2-氨乙基)-1,3-丙二胺、丙二酸二乙酯以乙醇为溶剂，反应 72.0h，生成 1,4,8,11-四氮杂环十四烷-5,7-二酮

参考文献：

名称：

cis-Dioxocyclam

摘要：

Molecules of 1,4,8,11-tetraazacyclotetradecane-5,7-dione, or cis-dioxocyclam, C10H20N4O2, lie across mirror planes in space group Cmca; the crystal structure reveals interleaved columns of cis-dioxocyclam molecules along the 2(1) screw axis parallel to the crystallographic b axis. The columns are interconnected in a chain-like arrangement by an amido hydrogen-bonding network (N ... O = 2.816 Angstrom) and an amino hydrogen-bonding network (N ... N = 3.193 Angstrom). The intracolumn spacing is 9.02 Angstrom.

DOI：

10.1107/s0108270102003165

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文献信息

General routes for the synthesis of mono, di and tri-N-substituted derivatives of cyclam

作者：I.M. Helps、D. Parker、J.R. Morphy、J. Chapman

DOI：10.1016/0040-4020(89)80049-3

日期：1989.1

The selective synthesis of N-substituted derivatives of 1,4,8,11-tetraazacyclotetradecane may be achieved through N-tosyl or N-benzyl intermediates, permitting for example the synthesis of 1,8 disubstituted derivatives.

1,4,8,11-四氮杂环十四烷的N-取代衍生物的选择性合成可以通过N-甲苯磺酰基或N-苄基中间体实现，例如允许合成1,8双取代的衍生物。
Grafting of Tetraazamacrocycles on the Surface of Phosphorus-Containing Dendrimers

作者：Delphine Prévôté、Bruno Donnadieu、Marcial Moreno-Mañas、Anne-Marie Caminade、Jean-Pierre Majoral

DOI：10.1002/(sici)1099-0690(199907)1999:7<1701::aid-ejoc1701>3.0.co;2-6

日期：1999.7

three and twelve macrocycles, respectively) and on the model compound PhCHNN(Me)P(S)Cl2. Depending on the nature of the macrocycle, the reaction induces the formation of five-membered rings (diazaphospholanes) or of six-membered rings (diazaphosphorinanes). The structure of the adducts is deduced from 13C NMR spectra and from X-ray diffraction studies of the reaction products (8, 9, 10) of the model

在磷表面上接枝了三种类型的四氮杂大环（1,4,8,11-四氮杂环十四烷，1,4,8,12-四氮杂环十五烷和1,4,8,11-四氮杂环十四烷-5,7-二酮）。包含具有P（S）Cl 2端基的树状聚合物（对于第1代和第3代：这分别对应于三个和十二个大环），并在模型化合物PhCHNN（Me）P（S）Cl 2上。取决于大环的性质，该反应诱导形成五元环（二氮杂膦酰基）或六元环（二氮杂膦酰基）。该加合物的结构由推导出13 C NMR谱，然后从反应产物（X射线衍射研究8，9，10）的模型化合物。
TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY

申请人：Massachusetts Institute of Technology

公开号：US20200030716A1

公开（公告）日：2020-01-30

Disclosed are methods of extracting metal ions using ionic liquids (ILs), IL complexes, and mixtures comprising an IL and a metal-chelating group. Also disclosed are IL complexes, and mixtures comprising an IL and a metal-chelating group.

揭示了利用离子液体（ILs）、IL络合物和包含IL和金属螯合基团的混合物提取金属离子的方法。还揭示了IL络合物和包含IL和金属螯合基团的混合物。
Chemistry of Constrained Dioxocyclam Ligands with Co(III): Unusual Examples of C−H and C−N Bond Cleavage

作者：Chuanjiang Hu、Robert M. Chin、Thoi D. Nguyen、Khoi T. Nguyen、Paul S. Wagenknecht、Lawrence C. Nathan

DOI：10.1021/ic0302027

日期：2003.11.1

ionic character in the cobalt-carbon bond. However, we were unable to cleave this bond in the presence of strong acid. In the absence of base, the reaction of Co(acac)(3) with H(2)dc3 resulted in C-N cleavage of the ligand and the formation of a complex of dioxocyclam, Co(dc)(acac), 2. This complex has subsequently been prepared in high yield by the reaction of Co(acac)(3) with dioxocyclam. An X-ray crystallographic

H（2）dc3和Co（acac）（3）之间的反应已在存在和不存在碱的条件下进行了研究。在存在碱的情况下，大概是通过杂化CH键活化作用形成的，带有分子内Co-C键的复合物Co（dc3-C-（8））（H（2）O）1。X射线晶体学研究表明存在Co-C键，并表明二氮杂环辛烷（daco）亚基相对于金属采用了椅形结构。钴碳键在大环中诱导应变，如键角明显偏离四面体所示。结合到钴上的碳原子的（13）C NMR共振（-10.5 ppm）表明钴-碳键具有明显的离子特征。但是，在强酸存在下我们无法裂解该键。在没有基地的情况下，Co（acac）（3）与H（2）dc3的反应导致CN裂解配体，并形成二氧环素Co（dc）（acac），2的配合物。 Co（acac）（3）与二氧杂环丁烷的反应产生收率。X射线晶体学研究表明，二氧杂环丁烷采用迄今未报道的顺式构型，并沿垂直于Co-acac平面的N-Co-N轴折叠。
Photosensitizers for Targeted Photodynamic Therapy

申请人：Wharton Tim

公开号：US20090076115A1

公开（公告）日：2009-03-19

The present invention relates to photosensitizer compounds based on functionalized fullerenes useful in targeted photodynamic therapy (PDT), and methods of use thereof.

本发明涉及基于功能化富勒烯的光敏剂化合物，用于靶向光动力疗法（PDT）以及其使用方法。

1,4,8,11-四氮杂环十四烷-5,7-二酮 | 63972-19-0

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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