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Octanenitrile

Octanenitrile structure

CAS No:
124-12-9
Formula:
C8H15N
Chemical Name:
Octanenitrile
Synonyms:
Octanenitrile;Arneel 8;Caprylonitrile;Octanonitrile;n-Octanonitrile;1-Cyanoheptane;n-Heptyl cyanide;Heptylcyanide;NSC 5513
Categories:
Inorganic Chemistry > Inorganic Salts

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Description

clear colorless to light yellow liquid

Octanenitrile Basic Attributes

Molecular Weight：

125.215

Exact Mass：

125.21

EC Number：

204-682-2

UNII：

D6646V87PY

NSC Number：

5513

DSSTox ID：

DTXSID1047655

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.87048

Density：

0.82862 g/cm³ @ Temp: 0 °C

Melting Point：

-45.6 °C

Boiling Point：

205.2 °C

Flash Point：

165 °F

Refractive Index：

n 20/D 1.42(lit.)

Vapor Pressure：

0.39 mmHg

Toxicity：

LD50 orl-mus: 1764 mg/kg ARTODN 55,47,84

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3276

wgk germany：

hazard class code：

R20/21/22

safety instructions：

36/37

RTECS Number：

RG9700300

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H302 (55%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P332+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 141 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Octanenitrile Use and Manufacturing

Uses

Octanenitrile is a reagent often used in the preparation of amides by hydration using amorphous manganese oxide catalyst in the presence of reduced amounts of water.

Manufacturing Info：

Octanenitrile: ACTIVE

Computed Properties

Molecular Weight:125.21
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:125.120449483
Monoisotopic Mass:125.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:88
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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OCTANENITRILE 124-12-9

CAS No.: 124-12-9

Grade: Industrial Grade

Content: 99%

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Guide of Octanenitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Octanenitrile

SDS

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