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2-[4-(Bromomethyl)phenyl]-2-methylpropanenitrile

2-[4-(Bromomethyl)phenyl]-2-methylpropanenitrile - CAS 1201643-73-3

Catalog:	BB004738
Product Name:	2-[4-(Bromomethyl)phenyl]-2-methylpropanenitrile
CAS:	1201643-73-3
Synonyms:	2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile; 2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile
Description:	2-[4-(Bromomethyl)phenyl]-2-methylpropanenitrile (CAS# 1201643-73-3) is a useful research chemical.
Molecular Weight:	238.12
Molecular Formula:	C11H12BrN
Canonical SMILES:	CC(C)(C#N)C1=CC=C(C=C1)CBr
InChI:	InChI=1S/C11H12BrN/c1-11(2,8-13)10-5-3-9(7-12)4-6-10/h3-6H,7H2,1-2H3
InChI Key:	VSTXAWAMUHWZBE-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD20184913
LogP:	3.38268

Publication Number	Title	Priority Date
EP-2303890-A2	Phosphatidylinositol 3 kinase inhibitors	20080619
US-2011212053-A1	Phosphatidylinositol 3 kinase inhibitors	20080619
WO-2009155527-A2	Phosphatidylinositol 3 kinase inhibitors	20080619
WO-2009155527-A9	Phosphatidylinositol 3 kinase inhibitors	20080619

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[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

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.01531
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	237.01531
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1