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1-Cyclohexene-1-acetonitrile

1-Cyclohexene-1-acetonitrile structure

CAS No:
6975-71-9
Formula:
C8H11N
Chemical Name:
1-Cyclohexene-1-acetonitrile
Synonyms:
1-Cyclohexene-1-acetonitrile;1-Cyclohexen-1-ylacetonitrile;2-(1-Cyclohexenyl)acetonitrile;1-Cyclohexenylacetonitrile;NSC 21642;2-(Cyclohex-1-en-1-yl)acetonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear yellow to orange liquid

1-Cyclohexene-1-acetonitrile Basic Attributes

Molecular Weight：

121.180

Exact Mass：

121.18

EC Number：

230-235-6

UNII：

F7P4K7ULM7

NSC Number：

21642

DSSTox ID：

DTXSID1064536

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

2.03

Appearance：

Clear yellow to orange liquid

Density：

0.94727 g/cm³ @ Temp: 21.1 °C

Melting Point：

225-227 °C

Boiling Point：

112 °C @ Press: 27 Torr

Flash Point：

83.9±0.0 °C

Refractive Index：

1.479

Storage Conditions：

Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S26-S27-S36/37/39-S36/37

Marks：

Xn: Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Cyclohexene-1-acetonitrile Use and Manufacturing

Manufacturing Info：

1-Cyclohexene-1-acetonitrile: INACTIVE

Computed Properties

Molecular Weight:121.18
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:121.089149355
Monoisotopic Mass:121.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-Cyclohexene-1-acetonitrile

CAS No.: 6975-71-9

Grade: Industrial Grade

Content: 99%

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Guide of 1-Cyclohexene-1-acetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1-Cyclohexene-1-acetonitrile

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