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2-Bromo-5-fluorobenzyl Chloride

2-Bromo-5-fluorobenzyl Chloride - CAS 857276-61-0

Catalog:	BB037700
Product Name:	2-Bromo-5-fluorobenzyl Chloride
CAS:	857276-61-0
Synonyms:	1-bromo-2-(chloromethyl)-4-fluorobenzene; 1-bromo-2-(chloromethyl)-4-fluorobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-2-(chloromethyl)-4-fluorobenzene
Description:	2-Bromo-5-fluorobenzyl Chloride (CAS# 857276-61-0) is a useful research chemical.
Molecular Weight:	223.47
Molecular Formula:	C7H5BrClF
Canonical SMILES:	C1=CC(=C(C=C1F)CCl)Br
InChI:	InChI=1S/C7H5BrClF/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,4H2
InChI Key:	OPMKPLUMLVBPET-UHFFFAOYSA-N
Boiling Point:	232.5 °C at 760 mmHg
Density:	1.624 g/cm³
MDL:	MFCD09263441
LogP:	3.32700

Publication Number	Title	Priority Date
JP-2019006759-A	Method for producing aromatic compound	20170626
TW-201815993-A	Varnish for charge transport film formation	20160714
EP-3404017-A1	Fluorine atom-containing compound and use thereof	20160114
EP-3404017-B1	Fluorine atom-containing compound and use thereof	20160114
JP-WO2017122649-A1	Fluorine atom-containing compound and use thereof	20160114

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[102388-00-1]
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[2367-82-0]
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[111-85-3]
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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.92472
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.92472
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1