2-Bromopropionyl chloride - CAS 7148-74-5

Catalog:	BB034394
Product Name:	2-Bromopropionyl chloride
CAS:	7148-74-5
Synonyms:	2-bromopropanoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2-bromopropanoyl chloride
Description:	2-Bromopropionyl chloride (CAS# 7148-74-5) is a reagent that is used in the preparation of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1.
Molecular Weight:	171.42
Molecular Formula:	C3H4BrClO
Canonical SMILES:	CC(C(=O)Cl)Br
InChI:	InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3
InChI Key:	OZGMODDEIHYPRY-UHFFFAOYSA-N
Boiling Point:	131-133 ℃
Purity:	95 %
Density:	1.7 g/cm³
Appearance:	Clear yellow liquid
Storage:	Store at RT.
MDL:	MFCD00000711
LogP:	1.53520

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	63.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.91341
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.91341
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2