2-Bromo-2'-chloroacetophenone - CAS 5000-66-8

Catalog:	BB026888
Product Name:	2-Bromo-2'-chloroacetophenone
CAS:	5000-66-8
Synonyms:	2-bromo-1-(2-chlorophenyl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-(2-chlorophenyl)ethanone
Description:	2-Bromo-2'-chloroacetophenone (CAS# 5000-66-8) is a compound useful in organic synthesis.
Molecular Weight:	233.49
Molecular Formula:	C8H6BrClO
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)CBr)Cl
InChI:	InChI=1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
InChI Key:	WZWWEVCLPKAQTA-UHFFFAOYSA-N
Boiling Point:	162-166 °C (20 mmHg)
Melting Point:	162-166 °C (20 MMH g)
Purity:	95 %
Density:	1.602 g/cm³
Appearance:	Colourless liquid
Storage:	Keep Cold
MDL:	MFCD00832993
LogP:	2.91760

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Related Functional Groups

Carbonyl Compounds

[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
[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.92906
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.92906
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9