3-aminobut-2-enenitrile

Basic Information

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CAS Number

1118-61-2

Molecular Formula

C4H6N2

Molecular Weight

82.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

79-81°C

Boiling Point

120°C 4mm

Water Solubility

Very soluble in water, soluble in ethanol.

Flash Point

154°C

Solubility

95% ethanol: soluble25mg/mL, clear, colorless to yellow

Refractive Index

1.4449 (estimate)

SMILES

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CC(=CC#N)N

InChI

InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3/b4-2+

InChIKey

DELJOESCKJGFML-DUXPYHPUSA-N

LogP

1.07278

Complexity

104

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

易吸潮

Synonyms & References

English

NSC102759
3-Amino-2-butenonitrile
A0944
763-33-7
(2E)-3-aminobut-2-enenitrile
MFCD00008071
2-Butenenitrile, 3-amino-
3-Aminocrotononitrile, purum, >=95.0% (T)
(2E)-3-Amino-2-butenenitrile
F0001-0254
UNII-M4Z658J7FD
(2E)-3-Amino-2-butenenitrile #
3-Aminocrotononitrile, 96%
1118-61-2
AI3-52447
Crotononitrile, 3-amino-
STR01064
NS00020054
beta-Aminocrotononitrile
F19804
AKOS000119055
b-aminocrotononitrile
3-Aminocrotononitrile, Lonza quality, >=96.0% (based on DM, GC, KF)
3-Amino-2-butenenitrile
beta-Aminocrotonitrile
NSC 102759
(E)-3-aminobut-2-enenitrile
3-Aminocrotonitrile
DTXSID001309025
.beta.-Aminocrotononitrile
NSC-102759

MDL Number

MFCD00008071

Customs Code

2926909090

FAQ

What is 3-aminobut-2-enenitrile (CAS: 1118-61-2)?

3-Aminobut-2-enenitrile is a chemical compound with the CAS number 1118-61-2. It has the chemical formula C4H7N2 and exists as an oily liquid at room temperature. It is characterized by its pungent, nitrogenous odor and is used in various applications, including pharmaceuticals and research.

What are the main uses of 3-aminobut-2-enenitrile (CAS: 1118-61-2)?

3-Aminobut-2-enenitrile is primarily used in pharmaceuticals and research. It serves as a precursor in the synthesis of other chemical compounds and drugs. Due to its reactivity, it is also utilized in the development of organic synthesis reactions and as a functional group in various chemical processes.

Is 3-aminobut-2-enenitrile (CAS: 1118-61-2) safe?

3-Aminobut-2-enenitrile is classified as a hazardous substance due to its flammability and potential health risks. It is toxic to the environment and can be harmful if inhaled, ingested, or come into contact with skin or eyes. Proper handling, including wearing protective clothing and using appropriate respiratory equipment, is essential. Storage and disposal should comply with local safety regulations.

How should 3-aminobut-2-enenitrile (CAS: 1118-61-2) be stored?

3-Aminobut-2-enenitrile should be stored in a cool, dry place away from heat and sources of ignition. It should be kept in a tightly sealed container to prevent evaporation and contamination. Avoid exposure to direct sunlight and store it in a well-ventilated area. The storage temperature should not exceed 25°C (77°F) to ensure stability and safety.