3-Bromo-2-(trifluoromethyl)benzonitrile - CAS 1228898-24-5

Catalog:	BB055412
Product Name:	3-Bromo-2-(trifluoromethyl)benzonitrile
CAS:	1228898-24-5
Synonyms:	3-bromo-2-(trifluoromethyl)benzonitrile; PS-11478

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-2-(trifluoromethyl)benzonitrile
Molecular Weight:	250.02
Molecular Formula:	C8H3BrF3N
Canonical SMILES:	C1=CC(=C(C(=C1)Br)C(F)(F)F)C#N
InChI:	InChI=1S/C8H3BrF3N/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-3H
InChI Key:	WQERJEKPDHRROX-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2021188857-A1	Sos1 inhibitors	20191220
WO-2021127429-A1	Sos1 inhibitors	20191220
TW-202136266-A	Sos1 inhibitors	20191220
CN-111153758-A	Method for catalyzing aromatic halogen-containing organic matter dehalogenation by using supported metal oxide	20190619
CN-111153758-B	Method for catalyzing aromatic halogen-containing organic matter dehalogenation by using supported metal oxide	20190619
WO-2018235813-A1	IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING THE SAME	20170621
JP-2020142989-A	Imidazole derivatives and drugs containing them	20170621
IL-266931-D0	Methods of Use of Conjugated Pyrazole and Pyrazole Compounds and Treatment of Hyperproliferative Diseases	20161130
CN-106459002-A	Biaryl compounds useful for the treatment of human diseases in oncology, neurology and immunology	20131211
ES-2616655-T3	Pyridine derivatives as reorganized kinase inhibitors during transfection (RET)	20130315

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.9401
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.9401
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2