2-bromo-4-chloro-1-(difluoromethyl)benzene - CAS 1261476-50-9

Name: 2-bromo-4-chloro-1-(difluoromethyl)benzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006499
Product Name:	2-bromo-4-chloro-1-(difluoromethyl)benzene
CAS:	1261476-50-9
Synonyms:	2-bromo-4-chloro-1-(difluoromethyl)benzene; 2-bromo-4-chloro-1-(difluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-chloro-1-(difluoromethyl)benzene
Description:	2-bromo-4-chloro-1-(difluoromethyl)benzene (CAS# 1261476-50-9 ) is a useful research chemical.
Molecular Weight:	241.46
Molecular Formula:	C7H4BrClF2
Canonical SMILES:	C1=CC(=C(C=C1Cl)Br)C(F)F
InChI:	InChI=1S/C7H4BrClF2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,7H
InChI Key:	ZNEQJQZXIMENQW-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	4.04010

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112028877-A	Alkoxy pyridone compound and preparation method and application thereof	20190604
AU-2018216957-A1	Aryl hydrocarbon receptor (AhR) modulator compounds	20170201
BR-112019015716-A2	COMPOUND, AND, PHARMACEUTICAL COMPOSITION.	20170201
CA-3050827-A1	Aryl hydrocarbon receptor (ahr) modulator compounds	20170201
EP-3577112-A1	Aryl hydrocarbon receptor (ahr) modulator compounds	20170201

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.91530
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.91530
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9