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2-Bromo-3-chlorobenzotrifluoride

2-Bromo-3-chlorobenzotrifluoride - CAS 384-16-7

Catalog:	BB023664
Product Name:	2-Bromo-3-chlorobenzotrifluoride
CAS:	384-16-7
Synonyms:	2-bromo-1-chloro-3-(trifluoromethyl)benzene; 2-bromo-1-chloro-3-(trifluoromethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1-chloro-3-(trifluoromethyl)benzene
Description:	2-Bromo-3-chlorobenzotrifluoride (CAS# 384-16-7 ) is a useful research chemical.
Molecular Weight:	259.45
Molecular Formula:	C7H3BrClF3
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)Br)C(F)(F)F
InChI:	InChI=1S/C7H3BrClF3/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H
InChI Key:	GMUWNTUONIQRFP-UHFFFAOYSA-N
Boiling Point:	198.4 °C at 760 mmHg
Density:	1.717 g/cm³
LogP:	4.12130

Publication Number	Title	Priority Date
CN-112939818-A	Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride	20191211
US-2020163953-A1	Compounds for Inhibition of Alpha 4 Beta 7 Integrin	20181030
WO-2020092401-A1	COMPOUNDS FOR INHIBITION OF ALPHA 4Î²7 INTEGRIN	20181030
TW-202033491-A	Compounds for inhibition of Î±4Î²7 integrin	20181030
CN-112969504-A	Compounds for inhibiting alpha 4 beta 7 integrins	20181030

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.90587
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.90587
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1