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2-Bromo-5-(trifluoromethyl)phenylacetonitrile

2-Bromo-5-(trifluoromethyl)phenylacetonitrile - CAS 732306-26-2

Catalog:	BB034805
Product Name:	2-Bromo-5-(trifluoromethyl)phenylacetonitrile
CAS:	732306-26-2
Synonyms:	2-[2-bromo-5-(trifluoromethyl)phenyl]acetonitrile; 2-[2-bromo-5-(trifluoromethyl)phenyl]acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-[2-bromo-5-(trifluoromethyl)phenyl]acetonitrile
Description:	2-Bromo-5-(trifluoromethyl)phenylacetonitrile (CAS# 732306-26-2 ) is a useful research chemical.
Molecular Weight:	264.04
Molecular Formula:	C9H5BrF3N
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)CC#N)Br
InChI:	InChI=1S/C9H5BrF3N/c10-8-2-1-7(9(11,12)13)5-6(8)3-4-14/h1-2,5H,3H2
InChI Key:	BUPMKGVGKPGMOB-UHFFFAOYSA-N
Boiling Point:	281.5 °C at 760 mmHg
Density:	1.597 g/cm³
Appearance:	White powder
MDL:	MFCD04973763
LogP:	3.53398

Publication Number	Title	Priority Date
EP-3174537-A1	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729
US-10011572-B2	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729
US-2017210715-A1	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729
WO-2016018729-A1	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729
EP-3174537-B1	Monocyclic isoxazolines as inhibitors of cholesterol ester transfer protein	20140729

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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GHS Hazard Statement:	H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.95575
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	262.95575
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2