1-Bromo-4-(difluoromethyl)benzene - CAS 51776-71-7

Catalog:	BB027582
Product Name:	1-Bromo-4-(difluoromethyl)benzene
CAS:	51776-71-7
Synonyms:	1-bromo-4-(difluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-4-(difluoromethyl)benzene
Description:	1-Bromo-4-(difluoromethyl)benzene (CAS# 51776-71-7) is a useful research chemical.
Molecular Weight:	207.02
Molecular Formula:	C7H5BrF2
Canonical SMILES:	C1=CC(=CC=C1C(F)F)Br
InChI:	InChI=1S/C7H5BrF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H
InChI Key:	HUSPSWKWFREKSS-UHFFFAOYSA-N
Boiling Point:	208.4 °C at 760 mmHg
Purity:	95 %
Density:	1.604 g/cm³
Appearance:	Liquid
MDL:	MFCD06657964
LogP:	3.38670
Refractive Index:	1.498

Publication Number	Title	Priority Date
CN-112939750-A	Method for transferring asymmetric functionalization by nickel-hydrogen catalysis olefin promoted by ligand relay strategy	20210204
CN-112939729-A	Method for carrying out hydrogen-deuterium exchange reaction on difluoromethyl aromatic hydrocarbon under base catalysis	20210122
WO-2021126080-A1	A new method of 18f labelling and intermediate salts	20191217
EP-3822268-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094436-A1	Substituted hydantoinamides as adamts7 antagonists	20191115

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Related Functional Groups

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[1431966-58-3]
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Other Pyrimidines

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[927800-47-3]
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[81290-20-2]
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GHS Hazard Statement:	H302 (50%): 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:	97.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.95427
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.95427
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2