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1,3-Dibromo-2-(difluoromethoxy)benzene

1,3-Dibromo-2-(difluoromethoxy)benzene - CAS 1182728-50-2

Catalog:	BB004071
Product Name:	1,3-Dibromo-2-(difluoromethoxy)benzene
CAS:	1182728-50-2
Synonyms:	1,3-dibromo-2-(difluoromethoxy)benzene; 1,3-dibromo-2-(difluoromethoxy)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,3-dibromo-2-(difluoromethoxy)benzene
Description:	1,3-Dibromo-2-(difluoromethoxy)benzene (CAS# 1182728-50-2) is used as a reactant in the preparation of chlorothiophene-isoxazoles as inhibitors of coagulation factors Xa and thrombin.
Molecular Weight:	301.91
Molecular Formula:	C7H4Br2F2O
Canonical SMILES:	C1=CC(=C(C(=C1)Br)OC(F)F)Br
InChI:	InChI=1S/C7H4Br2F2O/c8-4-2-1-3-5(9)6(4)12-7(10)11/h1-3,7H
InChI Key:	LWMNXLMNERFLAL-UHFFFAOYSA-N
LogP:	3.81300

Publication Number	Title	Priority Date
AU-2009217075-A1	Chlorothiophene-amides as inhibitors of coagulation factors Xa and thrombin	20080221
AU-2009217075-B2	Chlorothiophene-amides as inhibitors of coagulation factors Xa and thrombin	20080221
CA-2714654-A1	Chlorothiophene-amides as inhibitors of coagulation factors xa and thrombin	20080221
EP-2254881-A1	Chlorothiophene-amides as inhibitors of coagulation factors xa and thrombin	20080221
EP-2254881-B1	Chlorothiophene-amides as inhibitors of coagulation factors xa and thrombin	20080221

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Related Functional Groups

Halides

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(Z)-1,3-Diiodo-2-butene
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[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
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1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

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

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.85765
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	299.85970
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2