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Structure

N-Octyl 4-chloroacetoacetate

CAS
41051-21-2
Catalog Number
ACM41051212
Category
Other Products
Molecular Weight
248.75
Molecular Formula
C12H21ClO3

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Specification

Synonyms
Octyl-4-chloroacetoacetate, 4-OCA, CID193810, Butanoic acid, 4-chloro-3-oxo-, octyl ester, 41051-21-2
IUPAC Name
octyl 4-chloro-3-oxobutanoate
Canonical SMILES
CCCCCCCCOC(=O)CC(=O)CCl
InChI Key
QVBGSRKQOYZMLR-UHFFFAOYSA-N
Boiling Point
313.5ºC at 760mmHg
Flash Point
112.1ºC
Density
1.06
Exact Mass
248.11800
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
Physical Description
n-Octyl 4-chloroacetoacetate tech., 85% (100ml)
Safety Description
37/39-26
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