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4-Chlorobutyronitrile

4-Chlorobutyronitrile structure

CAS No:
628-20-6
Formula:
C4H6ClN
Chemical Name:
4-Chlorobutyronitrile
Synonyms:
Butanenitrile,4-chloro-;Butyronitrile,4-chloro-;4-Chlorobutanenitrile;4-Chlorobutyronitrile;γ-Chlorobutyronitrile;NSC 8410
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear Colourless Liquid

4-Chlorobutyronitrile Basic Attributes

Molecular Weight：

103.549

Exact Mass：

103.55

EC Number：

211-031-6

UNII：

9JDK6275GP

NSC Number：

8410

DSSTox ID：

DTXSID0060850

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

0.6

Appearance：

Colorless transparent liquid

Density：

1.07910-1.07917 g/cm³ @ Temp: 30 °C

Melting Point：

-44ºC

Boiling Point：

192 °C

Flash Point：

85.0±0.0 °C

Refractive Index：

1.424

Water Solubility：

H2O: immiscible

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

6.1

safety instructions：

S45-S7-S36/37/39

RTECS Number：

ET9020000

Marks：

T:Toxic;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 99 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chlorobutyronitrile Use and Manufacturing

Manufacturing Info：

Butanenitrile, 4-chloro-: ACTIVE

Computed Properties

Molecular Weight:103.55
XLogP3:0.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:103.0188769
Monoisotopic Mass:103.0188769
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:61.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 628-20-6

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CN
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CAS No.: 628-20-6

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Content: 99%

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