4-Bromo-2-fluorobiphenyl - CAS 41604-19-7

Catalog:	BB024912
Product Name:	4-Bromo-2-fluorobiphenyl
CAS:	41604-19-7
Synonyms:	4-bromo-2-fluoro-1-phenylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-2-fluoro-1-phenylbenzene
Description:	An intermediate in the preparation of non-steroidal anti-inflammatory drugs as well as other bio-active compounds.
Molecular Weight:	251.09
Molecular Formula:	C12H8BrF
Canonical SMILES:	C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)F
InChI:	InChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
InChI Key:	HTRNHWBOBYFTQF-UHFFFAOYSA-N
Boiling Point:	175 °C / 2 mmHg
Melting Point:	39-41 °C
Purity:	98 %
Density:	1.433 g/cm³
Appearance:	Pale yellow crystalline
Storage:	Sealed in dry. Room temperature.
MDL:	MFCD00051716
LogP:	4.25520

Publication Number	Title	Priority Date
CN-112778115-A	Preparation method of flurbiprofen	20210126
CN-112457182-A	Preparation method of flurbiprofen impurity	20201216
CN-112341352-A	Preparation method of flurbiprofen	20201113
CN-112778127-A	Preparation method of flurbiprofen	20200625
CN-113045532-A	Intermediate for preparing S-flurbiprofen and preparation method and application thereof	20191226

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GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501
Signal Word:	Warning

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.97934
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.97934
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8