3-Bromopropionyl chloride - CAS 15486-96-1

Catalog:	BB011066
Product Name:	3-Bromopropionyl chloride
CAS:	15486-96-1
Synonyms:	3-bromopropanoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	3-bromopropanoyl chloride
Description:	3-Bromopropionyl chloride (CAS# 15486-96-1) is a versatile building blcok used in the synthesis of carbonyl compounds.
Molecular Weight:	171.42
Molecular Formula:	C3H4BrClO
Canonical SMILES:	C(CBr)C(=O)Cl
InChI:	InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2
InChI Key:	IHBVNSPHKMCPST-UHFFFAOYSA-N
Boiling Point:	55-57 ℃ (17 mmHg)
Purity:	95 %
Density:	1.7 g/cm³
Appearance:	Clear yellow liquid
Storage:	Refrigerator
MDL:	MFCD00000746
LogP:	1.53680

Publication Number	Title	Priority Date
CN-113185481-A	Synthesis method of tetrahydrofuran-3-ketone	20210407
CN-112441953-A	Water-soluble photopolymerization initiator containing diphenyl sulfide group ketone formate and preparation method thereof	20201122
CN-112110891-A	Tellurolactone and method for preparing ditellurium compound by using same	20200927
CN-111423454-A	Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist	20200424
CN-111423454-B	Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist	20200424

PMID	Publication Date	Title	Journal
21202050	20080305	(E)-1-(Pyridin-2-yl)ethanone O-acryloyloxime	Acta crystallographica. Section E, Structure reports online

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Carbonyl Compounds

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	54.8
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:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5