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1-[3,5-Bis(trifluoromethyl)phenyl]cyclopropanecarbonitrile

1-[3,5-Bis(trifluoromethyl)phenyl]cyclopropanecarbonitrile - CAS 1260786-06-8

Catalog:	BB006394
Product Name:	1-[3,5-Bis(trifluoromethyl)phenyl]cyclopropanecarbonitrile
CAS:	1260786-06-8
Synonyms:	1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropanecarbonitrile; 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
Description:	1-[3,5-Bis(trifluoromethyl)phenyl]cyclopropanecarbonitrile (CAS# 1260786-06-8 ) is a useful research chemical.
Molecular Weight:	279.18
Molecular Formula:	C12H7F6N
Canonical SMILES:	C1CC1(C#N)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI:	InChI=1S/C12H7F6N/c13-11(14,15)8-3-7(10(6-19)1-2-10)4-9(5-8)12(16,17)18/h3-5H,1-2H2
InChI Key:	WVBDPPPZKBVVJS-UHFFFAOYSA-N

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	375
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.0482682
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	279.0482682
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7