Ethyl 2-chloropentanoate
Basic information
- CAS
118688-48-5- Standard SMILES
CCCC(Cl)C(=O)OCC- InChIKey
ZAOIIUSDMKVQJW-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- Ethyl 2-chloropentanoate
- IUPAC
- ethyl 2-chloropentanoate
Names & synonyms
ethyl 2-chloropentanoate118688-48-5RefChem:594301855-478-0Pentanoic acid, 2-chloro, methyl ester2-chloro-pentanoic acid ethyl esterethyl2-chloropentanoateSCHEMBL8149342ZAOIIUSDMKVQJW-UHFFFAOYSA-NTEA68848AKOS011508506EN300-77825
Show more names
G43910
Database identifiers
- CAS
118688-48-5- PubChem CID
- 529993
- EC Number
- 855-478-0
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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