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1617-17-0

1617-17-0 Structure

1617-17-0 Structure
IdentificationBack Directory
[Name]

2-Chloropropionitrile
[CAS]

1617-17-0
[Synonyms]

oropropionitriL
2-chlorpropionitrile
2-CHLOROPROPIONITRILE
2-Chloropropanenitrile
Propanenitrile, 2-chloro-
2-Chloropropionitrile 95%
(2S)-2-chloropropionitrile
(2S)-2-chloropropanenitrile
[EINECS(EC#)]

216-570-0
[Molecular Formula]

C3H4ClN
[MDL Number]

MFCD00001859
[MOL File]

1617-17-0.mol
[Molecular Weight]

89.52
Chemical PropertiesBack Directory
[Melting point ]

54-55 °C
[Boiling point ]

120-122 °C(lit.)
[density ]

1.012 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.413(lit.)
[Fp ]

92 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[InChI]

InChI=1S/C3H4ClN/c1-3(4)2-5/h3H,1H3
[InChIKey]

JNAYPRPPXRWGQO-UHFFFAOYSA-N
[SMILES]

C(#N)C(Cl)C
[NIST Chemistry Reference]

CH3CHClCN(1617-17-0)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

10-23/24/25-36/37/38
[Safety Statements ]

16-26-27-36/37/39-45
[RIDADR ]

UN 3275 6.1/PG 2
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
Hazard InformationBack Directory
[Description]

2-Chloropropionitrile (2-CPN) is a colorless flammable liquid with a characteristic acrid odor.
[Uses]

Major uses of this chemical are in pharmaceutics and polymer synthesis.
[Environmental Fate]

Most of the toxicity of propionitrile results from release of cyanide. Cause of death is due to lack of oxygen to the body’s cells, especially to the brain and heart cells.
[Acquired resistance]

According to Henry’s law constant of 1.43×10-5 atmm3 mol-1, vapor pressure of 2.770mmHg and water solubility of 45 g ml-1 at 25°C are expected to indicate that volatilization from moist soil and water surfaces is expected to be an important fate process and also it can be volatilized from dry soil surfaces and exist as a vapor in the atmosphere.
When heated to decomposition, it emits very toxic fumes of chlorine-containing compounds: nitrogen oxides, hydrogen cyanide, and hydrogen chloride.
[Toxicity evaluation]

According to Henry’s law constant of 1.43×10-5 atmm3 mol-1, vapor pressure of 2.770mmHg and water solubility of 45 g ml-1 at 25°C are expected to indicate that volatilization from moist soil and water surfaces is expected to be an important fate process and also it can be volatilized from dry soil surfaces and exist as a vapor in the atmosphere.
When heated to decomposition, it emits very toxic fumes of chlorine-containing compounds: nitrogen oxides, hydrogen cyanide, and hydrogen chloride.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloropropionitrile(1617-17-0)MS
2-Chloropropionitrile(1617-17-0)1HNMR
2-Chloropropionitrile(1617-17-0)13CNMR
2-Chloropropionitrile(1617-17-0)IR1
2-Chloropropionitrile(1617-17-0)Raman
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