Acetic acid, chloro-, pentyl ester

HCID 138488
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Basic information

CAS
5411-55-2
Standard SMILES
CCCCCOC(=O)CCl
InChIKey
SAOZOMQLKLWJAN-UHFFFAOYSA-N
Molecular formula
C7H13ClO2
Average molar mass
164.63 g/mol
Monoisotopic mass
164.06040734

Names & identifiers

Preferred name
Acetic acid, chloro-, pentyl ester
IUPAC
pentyl 2-chloroacetate
English name
Acetic acid, chloro-, pentyl ester
Molecular formula
C7H13ClO2
Molecular weight
164.63

Names & synonyms

Acetic acid, chloro-, pentyl ester5411-55-2Pentyl chloroacetateChloroacetic acid, pentyl ester1-Pentanol, chloroacetateDTXSID50202456NSC 10985RefChem:108958DTXCID50124947SAOZOMQLKLWJAN-UHFFFAOYSA-Npentyl 2-chloroacetaten-pentyl chloroacetate
Show more names
N-AMYL CHLOROACETATE)Chloroacetic acid pentyl esterAcetic acid, 2-chloro-, pentyl ester
amyl chloroacetateamyl 2-chloroacetaten-pentyl 2-chloroacetateSCHEMBL1037338NSC10985NSC-10985SBB060707AKOS006279072

Database identifiers

CAS
5411-55-2
PubChem CID
138488
DTXSID
DTXSID50202456
Nikkaji
J121.503E

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
10

Physicochemical properties

Boiling point
196 °C · 196 °C(Press: 756 Torr)
Density
1.0514 g/cm3 · 1.0514 g/cm3
RIDADR
3265 · 3265
HazardClass
8 · 8
PackingGroup
III

Safety & regulation

Safety data

ridadr
3265
hazard_class
8
packing_group
III

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

6 records
New reaction record

Compound notes

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