3-(氮丙啶-1-基)丙腈 | 1072-66-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-(氮丙啶-1-基)丙腈
• 中文别名: 1-氮丙啶丙腈
• 英文名称: 1-(2-cyanoethyl)aziridine
• 英文别名: 3-(aziridin-1-yl)propanenitrile
• CAS: 1072-66-8
• 化学式: C₅H₈N₂
• 分子量: 96.1319
• InChiKey: OUZLDCCUOMNCON-UHFFFAOYSA-N

物化性质

• 沸点：
  169.67°C (rough estimate)
• 密度：
  0.9678 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 储存条件：
  通风、低温、干燥；应与其他库房内的食品原料分开存放。

SDS

Version 1.1
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name 1-(2-CYANOETHYL)AZIRIDINE - 250 MG

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2 - Hazards Identification

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SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Harmful by inhalation and in contact with skin. Toxic if
swallowed. Irritating to eyes, respiratory system and skin.

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
1-(2-CYANOETHYL)AZIRIDINE 1072-66-8 None None
Formula C5H8N2
Molecular Weight 96,1300 AMU
Synonyms 1-Aziridinepropanenitrile *
N-(2-Cyanoethyl)aziridine *
1-(2-Cyanoethyl)aziridine *
N-(beta-Cyanoethyl)ethylenimine *
1-(2-Cyanoethyl)ethylenimine

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4 - First Aid Measures

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AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of skin contact, flush with copious amounts of water for
at least 15 minutes. Remove contaminated clothing and shoes.
Call a physician.
AFTER EYE CONTACT
In case of contact with eyes, flush with copious amounts of
water for at least 15 minutes. Assure adequate flushing by
separating the eyelids with fingers. Call a physician.
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AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician immediately.

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5 - Fire Fighting Measures

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EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

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6 - Accidental Release Measures

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PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
Evacuate area.
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear self-contained breathing apparatus, rubber boots, and heavy
rubber gloves.
METHODS FOR CLEANING UP
Absorb on sand or vermiculite and place in closed containers for
disposal. Ventilate area and wash spill site after material
pickup is complete.

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7 - Handling and Storage

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HANDLING
Directions for Safe Handling: Do not breathe vapor. Do not get
in eyes, on skin, on clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep tightly closed.

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8 - Exposure Controls / Personal Protection

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ENGINEERING CONTROLS
Use only in a chemical fume hood. Safety shower and eye bath.
GENERAL HYGIENE MEASURES
Wash contaminated clothing before reuse. Wash thoroughly after
handling.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Where risk assessment shows air-purifying respirators
are appropriate use a full-face respirator with multi-purpose
combination (US) or type ABEK (EN 14387) respirator cartridges as
a backup to engineering controls. If the respirator is the sole
means of protection, use a full-face supplied air respirator.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.
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9 - Physical and Chemical Properties

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Appearance Physical State: Liquid
Property Value At Temperature or Pressure
pH N/A
BP/BP Range N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
SG/Density 0,9430 g/cm3
Partition Coefficient Log Kow: - 0,356.
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A

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10 - Stability and Reactivity

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STABILITY
Stable: Stable.
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide,
and nitrogen oxides.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur

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11 - Toxicological Information

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RTECS NUMBER: CM8750000
ROUTE OF EXPOSURE
Skin Contact: Causes skin irritation.
Skin Absorption: Harmful if absorbed through skin.
Eye Contact: Causes eye irritation.
Inhalation: Harmful if inhaled. Material is irritating to mucous
membranes and upper respiratory tract.
Ingestion: Toxic if swallowed.
CHRONIC EXPOSURE - MUTAGEN
Rat
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20 MG/KG
Intraperitoneal
Cytogenetic analysis

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12 - Ecological Information

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No data available.

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13 - Disposal Considerations

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SUBSTANCE DISPOSAL
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. Observe all federal, state, and local
environmental regulations.

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14 - Transport Information

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RID/ADR
UN#: 3276
Class: 6.1
PG: III
Proper Shipping Name: Nitriles, toxic, n.o.s.
IMDG
UN#: 3276
Class: 6.1
PG: III
Proper Shipping Name: Nitriles, toxic, n.o.s.
Marine Pollutant: No
Severe Marine Pollutant: No
Technical Name: Required
IATA
UN#: 3276
Class: 6.1
PG: III
Proper Shipping Name: NITRILES, LIQUID, TOXIC, N.O.S.
Inhalation Packing Group I: No
Technical Name: Required

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15 - Regulatory Information

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CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: T
Toxic.
R-PHRASES: 20/21-25-36/37/38
Harmful by inhalation and in contact with skin. Toxic if
swallowed. Irritating to eyes, respiratory system and skin.
S-PHRASES: 26-36/37-45
In case of contact with eyes, rinse immediately with plenty of
water and seek medical advice. Wear suitable protective
clothing and gloves. In case of accident or if you feel unwell,
seek medical advice immediately (show the label where possible).
Caution: Substance not yet fully tested (EU).

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16 - Other Information

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WARRANTY
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. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

类别：农药
毒性分级：高毒
急性毒性（口服-大鼠）：LD50 = 100 毫克/公斤
可燃性危险特性：可燃；燃烧时产生有毒氮氧化物烟雾
储运特性：通风、低温干燥；与库房食品原料分开存放
灭火剂：干粉、泡沫、沙土、二氧化碳、雾状水

反应信息

• 作为反应物：
  描述：

  3-(氮丙啶-1-基)丙腈 在 三氯氧磷 作用下， 以 苯 为溶剂， 反应 10.0h， 以60%的产率得到N,N-(β-chloroethyl-β-cyanoethyl)amidophosphoryl dichloride
  参考文献：
  名称：

  Gubnitskaya, E. S.; Semashko, Z. T.; Parkhomenko, V. S., Journal of general chemistry of the USSR, 1980, vol. 50, # 10, p. 1746 - 1757

  摘要：

  DOI：
• 作为产物：
  描述：

  丙烯腈 以97%的产率得到
  参考文献：
  名称：

  RICART G., REV. ROUM. CHIM., 1980, 25, NO 3, 379-391

  摘要：

  DOI：

文献信息

• Preparation of nitramine-nitrates by ring-opening nitration of aziridines by dinitrogen pentoxide (N2O5
  作者：Peter Golding、Ross W Millar、Norman C Paul、David H Richards

  DOI：10.1016/s0040-4020(01)87980-1

  日期：1993.8

  bearing various types of substituents on the ring nitrogen, were treated with N2O5 in chlorinated solvents at sub-ambient temperature and formed 1,2-nitramine-nitrate products by a novel ring-opening nitration reaction analogous to that established for the corresponding oxygen heterocycles (epoxides). A wide variety of classes of aziridine underwent the reaction (N-alkyl, N-(nitroaryl), N-acyl and N-imidyl)

  在环境温度下，在氯化溶剂中用N 2 O 5处理13个在环氮上带有各种取代基的氮丙啶，并通过类似于所建立的新型开环硝化反应，形成1，2-硝胺硝酸盐产物。相应的氧杂环（环氧化物）。各种类型的氮丙啶进行了反应（N-烷基，N-（硝基芳基），N-酰基和N-亚氨基），尽管在一种情况下，收率很高（70-82％） N-（烷基羰基）氮丙啶竞争的脱酰反应导致产率降低。另外，带有氮丙啶的基团能够通过N 2 O 5释放硝酸 由于竞争性反应（主要是聚合/低聚），因此（即具有O = H，N = H或未取代的芳基的化合物）大大降低了硝酸硝胺的收率。
• Nitration by oxides of nitrogen, part 2 : preparation of nitramines by reaction of strained-ring nitrogen heterocycles with dinitrogen pentoxide
  作者：P Golding、R W Millar、N C Paul、D H Richards (deceased)

  DOI：10.1016/0040-4039(88)85273-0

  日期：——

  Several aziridines and three azekidines have been found to yield nitramine-nitrates in good to excellent yield by ring opening with dinitrogen pentoxide.

  已经发现几种氮丙啶和三种氮杂环丁烷通过与五氧化二氮开环以良好或优异的产率产生硝酸硝胺。
• S-2-Aminoethyl-S'-ι-Carboxyalkyl Dithiocarbonate Hydrochlonides as Potential Antiradiation Agents
  作者：Thomas Johnston、Carl Stringfellow, Jr.、James Piper

  DOI：10.1021/jm00312a607

  日期：1968.11
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.14, 3.8.2.1, page 105 - 110
  作者：

  DOI：——

  日期：——
• Bestian, Justus Liebigs Annalen der Chemie, 1950, vol. 566, p. 210,231
  作者：Bestian

  DOI：——

  日期：——