2-(4-Bromophenyl)-2-methylpropionitrile - CAS 101184-73-0

Catalog:	BB000460
Product Name:	2-(4-Bromophenyl)-2-methylpropionitrile
CAS:	101184-73-0
Synonyms:	2-(4-bromophenyl)-2-methylpropanenitrile; 2-(4-bromophenyl)-2-methylpropanenitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-bromophenyl)-2-methylpropanenitrile
Description:	2-(4-Bromophenyl)-2-methylpropionitrile (CAS# 101184-73-0) is a useful research chemical.
Molecular Weight:	224.10
Molecular Formula:	C10H10BrN
Canonical SMILES:	CC(C)(C#N)C1=CC=C(C=C1)Br
InChI:	InChI=1S/C10H10BrN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3
InChI Key:	DABJLFKRJWUXMV-UHFFFAOYSA-N
Boiling Point:	299.8 °C at 760 mmHg
Density:	1.352 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD02684219
LogP:	3.25028

Publication Number	Title	Priority Date
CN-113372536-A	Triarylamine polymer, preparation method and application thereof	20200421
EP-3822268-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094436-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
CN-111825656-A	Inhibitors of protein arginine methyltransferase 5(PRMT5), pharmaceutical products thereof, and methods thereof	20190415
CN-111808269-A	Novel polytriarylamines and use thereof	20190412

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Related Functional Groups

Nitrogen Compounds

[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[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
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

GHS Hazard Statement:	H302+H332 (97.44%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P273, P301+P312, P304+P312, P304+P340, P312, P330, P391, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.99966
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.99966
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2