2'-Bromo-4'-chloroacetophenone - CAS 825-40-1

Catalog:	BB036850
Product Name:	2'-Bromo-4'-chloroacetophenone
CAS:	825-40-1
Synonyms:	1-(2-bromo-4-chlorophenyl)ethanone; 1-(2-bromo-4-chlorophenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2-bromo-4-chlorophenyl)ethanone
Description:	2'-Bromo-4'-chloroacetophenone (CAS# 825-40-1) is a useful research chemical.
Molecular Weight:	233.49
Molecular Formula:	C8H6BrClO
Canonical SMILES:	CC(=O)C1=C(C=C(C=C1)Cl)Br
InChI:	InChI=1S/C8H6BrClO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
InChI Key:	URBATMJMOGHOCE-UHFFFAOYSA-N
Boiling Point:	297.2 °C at 760 mmHg
Density:	1.566 g/cm³
LogP:	3.30510

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
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:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9