Basic information
- CAS
42115-48-0- Standard SMILES
CCCCOC(=O)C(Br)CC- InChIKey
DKZLMRKANVHJGG-UHFFFAOYSA-N- Molecular formula
- C8H15BrO2
- Average molar mass
- 223.11 g/mol
- Monoisotopic mass
- 222.02554
Names & identifiers
- Preferred name
- Butanoic acid, 2-bromo-, butyl ester
- IUPAC
- butyl 2-bromobutanoate
- English name
- 2-Bromobutyric acid n-butyl ester
- Molecular formula
- C8H15BrO2
- Molecular weight
- 223.11
Names & synonyms
42115-48-0Butyl 2-bromobutyrateButanoic acid, 2-bromo-, butyl esterEINECS 255-660-4AI3-23172NSC 8205RefChem:330721255-660-4Butyl 2-bromobutanoateButyl 2-bromobutanoate #SCHEMBL27196582-bromo-butyric acid butyl ester
Show more names
BUTYL A-BROMOBUTYRATEN-BUTYL-A-BROMOBUTYRATEN-BUTYL 2-BROMOBUTYRATE 99%2-Bromobutyric acid butyl ester2-Bromobutanoic acid butyl ester2-Bromobutyric acid n-butyl ester
NSC8205DTXSID001291371NSC-8205AKOS017550626NS00057619
Database identifiers
- CAS
42115-48-0- PubChem CID
- 95418
- DTXSID
DTXSID001291371- EC Number
- 255-660-4
- Nikkaji
- J278.333I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 212 · 212.0±8.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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