α-Bromo-4-chlorophenylacetic acid - CAS 3381-73-5

Catalog:	BB021845
Product Name:	α-Bromo-4-chlorophenylacetic acid
CAS:	3381-73-5
Synonyms:	2-bromo-2-(4-chlorophenyl)acetic acid

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	2-bromo-2-(4-chlorophenyl)acetic acid
Description:	α-Bromo-4-chlorophenylacetic acid (CAS# 3381-73-5) is a useful reactant or reagent in organic synthesis.
Molecular Weight:	249.49
Molecular Formula:	C8H6BrClO2
Canonical SMILES:	C1=CC(=CC=C1C(C(=O)O)Br)Cl
InChI:	InChI=1S/C8H6BrClO2/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H,11,12)
InChI Key:	KKOAAWLOOHBFQP-UHFFFAOYSA-N
Boiling Point:	326.099 °C at 760 mmHg
Purity:	97 %
Density:	1.748 g/cm³
Appearance:	White to brown powder, crystals or crystalline powder and/or chunks
LogP:	2.86060

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PMID	Publication Date	Title	Journal
16294251	20051207	Copper(II)-mediated resolution of alpha-halo carboxylic acids with chiral O,O'-dibenzoyltartaric acid: spontaneous racemization and crystallization-induced dynamic resolution	Organic & biomolecular chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (99.22%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.92397
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	247.92397
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9