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4-Isocyanato-2-(trifluoromethyl)benzonitrile

4-Isocyanato-2-(trifluoromethyl)benzonitrile - CAS 143782-18-7

Catalog:	BB009667
Product Name:	4-Isocyanato-2-(trifluoromethyl)benzonitrile
CAS:	143782-18-7
Synonyms:	4-isocyanato-2-(trifluoromethyl)benzonitrile; 4-isocyanato-2-(trifluoromethyl)benzonitrile

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Catalog	Size	Price	Stock	Quantity
BB009667	100 mg	$199	In stock

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Technical Data

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Computed Properties

IUPAC Name:	4-isocyanato-2-(trifluoromethyl)benzonitrile
Description:	4-Isocyanato-2-(trifluoromethyl)benzonitrile (CAS# 143782-18-7 ) is a useful research chemical.
Molecular Weight:	212.13
Molecular Formula:	C9H3F3N2O
Canonical SMILES:	C1=CC(=C(C=C1N=C=O)C(F)(F)F)C#N
InChI:	InChI=1S/C9H3F3N2O/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H
InChI Key:	BQRKAMKMDZEEES-UHFFFAOYSA-N
LogP:	2.54438

Publication Number	Title	Priority Date
CN-112876391-A	Synthetic method of 4-isothiocyanato-2- (trifluoromethyl) benzonitrile	20210115
WO-2021013712-A1	Polyaromatic urea derivatives and their use in the treatment of muscle diseases	20190719
CN-108218784-A	A kind of preparation method of Nilutamide	20180116
US-2016022642-A1	Compounds Useful for Promoting Protein Degradation and Methods Using Same	20140725
AU-2014366802-A1	Non-steroidal antiandrogens and selective androgen receptor modulators with a pyridyl moiety	20131219

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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
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	324
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.01974721
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.01974721
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3