4-Chloropentanoyl Chloride - CAS 63480-12-6

Catalog:	BB032165
Product Name:	4-Chloropentanoyl Chloride
CAS:	63480-12-6
Synonyms:	4-chloropentanoyl chloride; 4-chloropentanoyl chloride

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Computed Properties

IUPAC Name:	4-chloropentanoyl chloride
Description:	4-Chloropentanoyl Chloride (CAS# 63480-12-6) is an intermediate used to prepare Tachykinin Antagonists. It is also used in the synthesis of aminobenzo[a]quinolizines as long-lasting dipeptidyl peptidase IV inhibitors.
Molecular Weight:	155.02
Molecular Formula:	C5H8Cl2O
Canonical SMILES:	CC(CCC(=O)Cl)Cl
InChI:	InChI=1S/C5H8Cl2O/c1-4(6)2-3-5(7)8/h4H,2-3H2,1H3
InChI Key:	HCBIDLRKPXILPU-UHFFFAOYSA-N
LogP:	2.15930

Publication Number	Title	Priority Date
CN-112595797-A	Method for determining apixaban intermediate through gas chromatography	20210105
CN-111320617-A	Phenyl oxadiazole derivative and preparation method and application thereof	20181217
EP-3632908-A1	Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer	20181002
WO-2020070181-A1	Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer	20181002
CN-113039182-A	Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment	20181002

PMID	Publication Date	Title	Journal
20439146	20101102	Development and validation of a specific and sensitive GC-FID method for the determination of impurities in 5-chlorovaleroyl chloride	Journal of pharmaceutical and biomedical analysis

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
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[87-88-7]
Chloranilic acid
[1006443-01-1]
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[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	82.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.9952203
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	153.9952203
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1