1072-66-8

1072-66-8结构式

常用中文名：1-Aziridinepropanenitrile
常用英文名：1-Aziridinepropanenitrile
CAS号：1072-66-8
分子式：C₅H₈N₂
分子量：96.13040
发布时间：2017-10-23 22:55:36
更新时间：2022-03-23 17:54:55

英文名	3-(aziridin-1-yl)propanenitrile
英文别名	1-Aziridinepropanenitrile 3-Aziridin-1-yl-propionitril 3-aziridin-1-yl-propionitrile 1-Aziridinepropionitrile

密度	1.047g/cm3
沸点	200.9ºC at 760mmHg
分子式	C₅H₈N₂
分子量	96.13040
闪点	82.6ºC
精确质量	96.06870
PSA	26.80000
LogP	0.15358
蒸汽压	0.317mmHg at 25°C
折射率	1.492
储存条件	通风低温干燥; 与库房食品原料分开存放
分子结构	1、摩尔折射率：26.66 2、摩尔体积（cm³/mol）：91.7 3、等张比容（90.2K）：236.3 4、表面张力（dyne/cm）：43.9 5、极化率（10-24cm3）：10.57
计算化学	1.疏水参数计算参考值（XlogP）:-0.3 2.氢键供体数量:0 3.氢键受体数量:2 4.可旋转化学键数量:2 5.互变异构体数量:无 6.拓扑分子极性表面积26.8 7.重原子数量:7 8.表面电荷:0 9.复杂度:95.9 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1

Version 1.1
Regulation (EC) No 1907/2006

1 - Product and Company Information

Product Name1-(2-CYANOETHYL)AZIRIDINE - 250 MG

2 - Hazards Identification

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.

3 - Composition/Information on Ingredients

Product NameCAS #EC noAnnex I
Index Number
1-(2-CYANOETHYL)AZIRIDINE1072-66-8 NoneNone
FormulaC5H8N2
Molecular Weight 96,1300 AMU
Synonyms1-Aziridinepropanenitrile *
N-(2-Cyanoethyl)aziridine *
1-(2-Cyanoethyl)aziridine *
N-(beta-Cyanoethyl)ethylenimine *
1-(2-Cyanoethyl)ethylenimine

4 - First Aid Measures

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.

5 - Fire Fighting Measures

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.

6 - Accidental Release Measures

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.

7 - Handling and Storage

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.

8 - Exposure Controls / Personal Protection

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

AppearancePhysical State: Liquid
PropertyValueAt Temperature or Pressure
pH N/A
BP/BP RangeN/A
MP/MP RangeN/A
Flash PointN/A
FlammabilityN/A
Autoignition TempN/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion LimitsN/A
Vapor PressureN/A
SG/Density0,9430 g/cm3
Partition Coefficient Log Kow: - 0,356.
ViscosityN/A
Vapor DensityN/A
Saturated Vapor Conc. N/A
Evaporation RateN/A
Bulk DensityN/A
Decomposition Temp.N/A
Solvent ContentN/A
Water ContentN/A
Surface TensionN/A
ConductivityN/A
Miscellaneous DataN/A
SolubilityN/A

10 - Stability and Reactivity

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

11 - Toxicological Information

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

12 - Ecological Information

No data available.

13 - Disposal Considerations

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.

14 - Transport Information

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

15 - Regulatory Information

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).

16 - Other Information

ALDRICHwww.molbase.com
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.
ALDRICHwww.molbase.com

SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

口服-大鼠 LDL0: 100 毫克/公斤

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CM8750000

CHEMICAL NAME :: 1-Aziridine propionitrile

CAS REGISTRY NUMBER :: 1072-66-8

BEILSTEIN REFERENCE NO. :: 0105260

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C5-H8-N2

MOLECULAR WEIGHT :: 96.15

WISWESSER LINE NOTATION :: T3NTJ A2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TEST SYSTEM :: Rodent - rat

DOSE/DURATION :: 20 mg/kg

REFERENCE :: BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 6,357,1951

海关编码	2933990090

151-56-4

107-13-1

1072-66-8

文献：Bestian Justus Liebigs Annalen der Chemie, 1950 , vol. 566, p. 210,231 Full Text Show Details Yoshida; Naito Kogyo Kagaku Zasshi, 1952 , vol. 55, p. 455,457 Chem.Abstr., 1954 , p. 13625

上游产品 2
151-56-4 107-13-1
下游产品 3
16832-85-2 113802-20-3 80348-19-2

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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