4'-(Dibromomethyl)biphenyl-2-carbonitrile - CAS 209911-63-7

Catalog:	BB016518
Product Name:	4'-(Dibromomethyl)biphenyl-2-carbonitrile
CAS:	209911-63-7
Synonyms:	2-[4-(dibromomethyl)phenyl]benzonitrile; 2-[4-(dibromomethyl)phenyl]benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-[4-(dibromomethyl)phenyl]benzonitrile
Description:	A di-substituted biphenol derivative.
Molecular Weight:	351.04
Molecular Formula:	C14H9Br2N
Canonical SMILES:	C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)C(Br)Br
InChI:	InChI=1S/C14H9Br2N/c15-14(16)11-7-5-10(6-8-11)13-4-2-1-3-12(13)9-17/h1-8,14H
InChI Key:	JFOGXCVQPLGLLD-UHFFFAOYSA-N
Boiling Point:	442.4 °C at 760 mmHg
Density:	1.72 g/cm³
LogP:	5.01368

Publication Number	Title	Priority Date
CN-104003903-B	The synthetic method of sartanbiphenyl	20140513
DE-112015001003-T5	Process for the preparation of 2- (halomethyl) -3-methylnitrobenzene	20140228
JP-6380524-B2	Process for producing 2- (halogenomethyl) -3-methylnitrobenzene	20140228
JP-WO2015129592-A1	Process for producing 2- (halogenomethyl) -3-methylnitrobenzene	20140228
US-2016332956-A1	Method for producing 2-(halogenomethyl)-3-methylnitrobenzene	20140228

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Related Functional Groups

Nitrogen Compounds

[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	350.90813
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	348.91017
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7