1-Cyclohexene-1-acetonitrile
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1-Cyclohexene-1-acetonitrile
structure -
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CAS No:
6975-71-9
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Formula:
C8H11N
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Chemical Name:
1-Cyclohexene-1-acetonitrile
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Synonyms:
1-Cyclohexene-1-acetonitrile;1-Cyclohexen-1-ylacetonitrile;2-(1-Cyclohexenyl)acetonitrile;1-Cyclohexenylacetonitrile;NSC 21642;2-(Cyclohex-1-en-1-yl)acetonitrile
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CAS No:
1-Cyclohexene-1-acetonitrile Basic Attributes
121.180
121.18
230-235-6
F7P4K7ULM7
21642
DTXSID1064536
2926909090
Characteristics
23.79000
2.03
Clear yellow to orange liquid
0.94727 g/cm3 @ Temp: 21.1 °C
225-227 °C
112 °C @ Press: 27 Torr
83.9±0.0 °C
1.479
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
Safety Information
I; II; III
6.1
3276
3
R20/21/22
S26-S27-S36/37/39-S36/37
Xn: Harmful;
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|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.
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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