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5-Chloropentanenitrile

5-Chloropentanenitrile structure

CAS No:
6280-87-1
Formula:
C5H8ClN
Chemical Name:
5-Chloropentanenitrile
Synonyms:
Pentanenitrile,5-chloro-;Valeronitrile,5-chloro-;5-Chloropentanenitrile;δ-Chlorovaleronitrile;5-Chlorovaleronitrile;1-Chloro-4-cyanobutane;4-Chloro-1-cyanobutane;NSC 6156
Categories:
Chemical Reagents > Organic Reagents

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Description

clear liquid

5-Chloropentanenitrile Basic Attributes

Molecular Weight：

117.57700

Exact Mass：

117.58

EC Number：

228-481-4

NSC Number：

6156

DSSTox ID：

DTXSID20211898

HScode：

29269095

Characteristics

PSA：

23.79000

XLogP3：

1.91908

Appearance：

Colorless liquid

Density：

1.061 g/cm³ @ Temp: 25 °C

Boiling Point：

101-102 °C @ Press: 16-17 Torr

Flash Point：

98ºC

Refractive Index：

1.4452-1.4472

Storage Conditions：

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：

UN 3276

wgk germany：

hazard class code：

R23/24/25

safety instructions：

S36/37/39-S45

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P301 + P310-P311

Hazard Statements：

H301-H311-H331

GHS Classification：

|Danger|H301 (91.3%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Chloropentanenitrile Use and Manufacturing

Used in pesticide intermediates.

Computed Properties

Molecular Weight:117.58
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:117.0345270
Monoisotopic Mass:117.0345270
Topological Polar Surface Area:23.8
Heavy Atom Count:7
Complexity:71.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetonitrile

Downstream Products

Carbon tetrachloride

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