Methyl alpha-bromo-2-chlorophenylacetate - CAS 85259-19-4

Catalog:	BB037564
Product Name:	Methyl alpha-bromo-2-chlorophenylacetate
CAS:	85259-19-4
Synonyms:	2-bromo-2-(2-chlorophenyl)acetic acid methyl ester; methyl 2-bromo-2-(2-chlorophenyl)acetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-bromo-2-(2-chlorophenyl)acetate
Description:	Methyl alpha-bromo-2-chlorophenylacetate (CAS# 85259-19-4) is a compound useful in organic synthesis.
Molecular Weight:	263.52
Molecular Formula:	C9H8BrClO2
Canonical SMILES:	COC(=O)C(C1=CC=CC=C1Cl)Br
InChI:	InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3
InChI Key:	HMBUCZUZRQQJQD-UHFFFAOYSA-N
Boiling Point:	281 ℃
Density:	1.567 g/cm³
MDL:	MFCD08444353
LogP:	2.94900

Publication Number	Title	Priority Date
CN-111499511-A	Preparation of clopidogrel intermediate Î± -bromo (2-chloro) methyl phenylacetate by circularly using aqueous solution method	20200420
WO-2021079380-A1	Improved process for the preparation of (2s)-n-{(1s)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)-amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-n-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide	20191023
TW-202019902-A	Fused ring compound with urea structure	20180705
CA-3105456-A1	Fused ring compound having urea structure	20180705
CN-108246099-B	Automobile indoor VOC remover and preparation method thereof	20180224

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Related Functional Groups

Carbonyl Compounds

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[55441-25-3]
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[1035840-45-9]
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[957292-12-5]
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GHS Hazard Statement:	H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501
Signal Word:	Danger

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.93962
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.93962
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2