3-Cyclohexene-1-carbonitrile
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3-Cyclohexene-1-carbonitrile
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CAS No:
100-45-8
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Formula:
C7H9N
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Chemical Name:
3-Cyclohexene-1-carbonitrile
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Synonyms:
3-Cyclohexene-1-carbonitrile;3-Cyclohexenyl cyanide;4-Cyanocyclohexene;3-Cyclohexenecarbonitrile;1-Cyano-3-cyclohexene;4-Cyano-1-cyclohexene;Cyclohex-3-enenitrile;(±)-3-Cyclohexene-1-carbonitrile;NSC 7407;79091-85-3
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CAS No:
Characteristics
23.79000
1.30
0.9555 g/cm3 @ Temp: 20 °C
83 °C @ Press: 20 Torr
65°C
1.4720-1.4750
0.317mmHg at 25°C
Safety Information
III
6.1
3276
20/21/22-36/37/38
26-36/37/39
GW2625000
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, P501
H302
|Warning|H302 (100%): 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 64 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:107.15
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Exact Mass:107.073499291
Monoisotopic Mass:107.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:8
Complexity:138
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
