5-Bromo-2-(bromomethyl)benzonitrile - CAS 156001-53-5

Catalog:	BB011192
Product Name:	5-Bromo-2-(bromomethyl)benzonitrile
CAS:	156001-53-5
Synonyms:	5-bromo-2-(bromomethyl)benzonitrile; 5-bromo-2-(bromomethyl)benzonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-(bromomethyl)benzonitrile
Description:	5-Bromo-2-(bromomethyl)benzonitrile (CAS# 156001-53-5) is a useful research chemical.
Molecular Weight:	274.94
Molecular Formula:	C8H5Br2N
Canonical SMILES:	C1=CC(=C(C=C1Br)C#N)CBr
InChI:	InChI=1S/C8H5Br2N/c9-4-6-1-2-8(10)3-7(6)5-11/h1-3H,4H2
InChI Key:	RPQAJIVYLBTILC-UHFFFAOYSA-N
LogP:	3.21568

Publication Number	Title	Priority Date
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
WO-2021067606-A1	Brm targeting compounds and associated methods of use	20191001
WO-2020247475-A1	Imidazo[1,2-c]pyrimidine derivatives as prc2 inhibitors for treating cancer	20190605
WO-2020219448-A1	Naphthyridine derivatives as prc2 inhibitors	20190422
TW-202045491-A	Azole derivatives	20190220

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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DBCO-PEG4-NHS ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.87682
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.87887
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9