2-Bromo-4-(trifluoromethyl)benzonitrile - CAS 35764-15-9

Catalog:	BB022754
Product Name:	2-Bromo-4-(trifluoromethyl)benzonitrile
CAS:	35764-15-9
Synonyms:	2-bromo-4-(trifluoromethyl)benzonitrile; 2-bromo-4-(trifluoromethyl)benzonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4-(trifluoromethyl)benzonitrile
Description:	2-Bromo-4-(trifluoromethyl)benzonitrile (CAS# 35764-15-9) is a useful research chemical.
Molecular Weight:	250.02
Molecular Formula:	C8H3BrF3N
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)Br)C#N
InChI:	InChI=1S/C8H3BrF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChI Key:	YQDJZASWOJHHGY-UHFFFAOYSA-N
Boiling Point:	252.3 °C at 760 mmHg
Density:	1.71 g/cm³
MDL:	MFCD06659467
LogP:	3.33958

Publication Number	Title	Priority Date
TW-202003457-A	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
US-2019359565-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
WO-2019226490-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
AU-2019272538-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
CN-112204008-A	Sulphonylaminobenzylamide and sulphonylaminobenzamide derivatives	20180522

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Related Functional Groups

Nitrogen Compounds

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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
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine

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4-Isocyanato-2-(trifluoromethyl)benzonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.94010
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.94010
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2