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Heptanenitrile

Heptanenitrile structure

CAS No:
629-08-3
Formula:
C7H13N
Chemical Name:
Heptanenitrile
Synonyms:
Heptanenitrile;Enanthonitrile;Heptanonitrile;Hexyl cyanide;1-Cyanohexane;n-Heptanenitrile;NSC 2172;1885-40-1;73833-76-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear yellow liquid

Heptanenitrile Basic Attributes

Molecular Weight：

111.18500

Exact Mass：

111.18

EC Number：

211-071-4

UNII：

UA4Z3QT98A

NSC Number：

2172

DSSTox ID：

DTXSID0021599

HScode：

29269095

Characteristics

PSA：

23.79000

XLogP3：

2.48038

Appearance：

clear yellow liquid

Density：

1.001 g/mL at 25 °C(lit.)

Melting Point：

-64 °C

Boiling Point：

183 °C

Flash Point：

137 °F

Refractive Index：

n20/D 1.521(lit.)

Water Solubility：

Slightly soluble in water.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3276 6.1/PG 3

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S36/37/39-S45-S36-S26

RTECS Number：

MW5604750

Marks：

Xn:Harmful;

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Heptanenitrile Use and Manufacturing

Manufacturing Info：

Heptanenitrile: ACTIVE

Computed Properties

Molecular Weight:111.18
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:111.104799419
Monoisotopic Mass:111.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:8
Complexity:77.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Heptanenitrile

CAS No.: 629-08-3

Grade: Industrial Grade

Content: 99%

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