Basic information
- CAS
54819-86-2- Standard SMILES
CCCCOC(=O)C(C)Cl- InChIKey
KATNUXHENWPMQJ-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.06040734
Names & identifiers
- Preferred name
- Butyl 2-chloropropanoate
- IUPAC
- butyl 2-chloropropanoate
- English name
- butyl 2-chloropropionate
- Molecular formula
- C7H13ClO2
- Molecular weight
- 164.63
Names & synonyms
Butyl 2-chloropropanoate54819-86-2Butyl 2-chloropropionatePropanoic acid, 2-chloro-, butyl ester2-Chloropropanoic acid butyl ester2-chloro-propionic acid butyl esterEINECS 259-363-0Butyl2-chloropropanoateAI3-33774n-butyl 2-chloropropionaten-Butyl-2-chloropropionateButyl 2-chloropropanoate #
Show more names
2-Chloropropionic acid butyl ester
n-butyl alpha-chloropropionateSCHEMBL2332236DTXSID50970163ECA81986SBB056574AKOS006272027DB-307692CS-0262940
Database identifiers
- CAS
54819-86-2- PubChem CID
- 123534
- DTXSID
DTXSID50970163- EC Number
- 259-363-0
- Nikkaji
- J40.658I
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
Physicochemical properties
- Boiling point
- 231.51 °C · 231.51°C (rough estimate)
- Density
- 1.0253 · 1.0253
- refractive index
- 1.4263 · 1.4263 (estimate)
Chemistry & industry
Suppliers3 total
安阳鸿蒙新材料有限公司19588588067 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
Loading…