2-(Trifluoromethyl)benzeneacetonitrile
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2-(Trifluoromethyl)benzeneacetonitrile
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CAS No:
3038-47-9
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Formula:
C9H6F3N
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Chemical Name:
2-(Trifluoromethyl)benzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,2-(trifluoromethyl)-;Acetonitrile,(α,α,α-trifluoro-o-tolyl)-;2-(Trifluoromethyl)benzeneacetonitrile;(α,α,α-Trifluoro-o-tolyl)acetonitrile;2-(Trifluoromethyl)phenylacetonitrile;2-(2-Trifluoromethylphenyl)ethanenitrile;1-[2-(Trifluoromethyl)phenyl]acetonitrile;2-[2-(Trifluoromethyl)phenyl]acetonitrile
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CAS No:
2-(Trifluoromethyl)benzeneacetonitrile Basic Attributes
185.149
185.15
221-239-9
DTXSID50184460
2926909090
Safety Information
III
6.1
3439
3
R20/21/22;R36/37/38
S26-S27-S28-S36/37/39
Xn: Harmful;
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Warning|H302 (93.33%): 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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:185.15
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:185.04523368
Monoisotopic Mass:185.04523368
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-(Trifluoromethyl)benzeneacetonitrile
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