Methyl 4-chlorobutyrate - CAS 3153-37-5

Name: Methyl 4-chlorobutyrate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020964
Product Name:	Methyl 4-chlorobutyrate
CAS:	3153-37-5
Synonyms:	methyl 4-chlorobutanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-chlorobutanoate
Description:	Methyl 4-chlorobutyrate (CAS# 3153-37-5) is used as a precursor chemical for projects such as vapor deposition for attaching ionic liquid to oxide surfaces1 and the synthesis of new thiopyran-based heterocyclic systems2.
Molecular Weight:	136.58
Molecular Formula:	C5H9ClO2
Canonical SMILES:	COC(=O)CCCCl
InChI:	InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChI Key:	ZZUYIRISBMWFMV-UHFFFAOYSA-N
Boiling Point:	175-176 °C
Density:	1.12 g/cm³
Appearance:	Colorless liquid
LogP:	1.17840

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113185403-A	Method for preparing cyclopropylamine intermediate methyl cyclopropanecarboxylate from methyl ether	20210702
CN-113009012-A	Detection method of 4-chlorobutyric acid	20210222
CN-112794803-A	Preparation method of cyclopropylamine intermediate methyl cyclopropanecarboxylate	20201201
CN-111517945-A	Method for long-term stable preparation of 4-chlorobutyryl chloride	20200530
CN-111533654-A	Application of organic amine intercalation compound in preparation of 4-chlorobutyryl chloride	20200530

Complexity:	72.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.0291072
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.0291072
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3