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Hexanenitrile

Hexanenitrile structure

CAS No:
628-73-9
Formula:
C6H11N
Chemical Name:
Hexanenitrile
Synonyms:
Hexanenitrile;Capronitrile;Pentyl cyanide;Hexanonitrile;Tricapronile;1-Cyanopentane;n-Hexanenitrile;n-Capronitrile;n-Pentyl cyanide;n-Amyl cyanide;NSC 1076
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Hexanenitrile Basic Attributes

Molecular Weight：

97.158

Exact Mass：

97.16

EC Number：

211-052-0

UNII：

S1XKP5498P

NSC Number：

1076

DSSTox ID：

DTXSID0060858

Characteristics

PSA：

23.79000

XLogP3：

1.68

Density：

0.82157 g/cm³ @ Temp: 0 °C

Melting Point：

-80.3 °C

Boiling Point：

163.6 °C

Flash Point：

43.3±0.0 °C

Refractive Index：

1.407

Vapor Pressure：

2.85 mmHg

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

R10;R22;R36/37/38

safety instructions：

S36/37

RTECS Number：

MO3900000

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H302-H315-H319-H335

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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 43 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hexanenitrile Use and Manufacturing

Manufacturing Info：

Hexanenitrile: ACTIVE|Nitriles, C6-12: INACTIVE

Computed Properties

Molecular Weight:97.16
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:97.089149355
Monoisotopic Mass:97.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:7
Complexity:67.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hexanenitrile

CAS No.: 628-73-9

Grade: Industrial Grade

Content: 99%

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