Basic information
- CAS
6974-87-4- Standard SMILES
CCCCCCCCCCC(Br)C(=O)OCC- InChIKey
VGYZSIMAKGWWOP-UHFFFAOYSA-N- Molecular formula
- C14H27BrO2
- Average molar mass
- 307.27 g/mol
- Monoisotopic mass
- 306.11944
Names & identifiers
- Preferred name
- Ethyl 2-bromododecanoate
- IUPAC
- ethyl 2-bromododecanoate
- English name
- Ethyl α-bromolaurate
- Molecular formula
- C14H27BrO2
- Molecular weight
- 307.27
Names & synonyms
Ethyl 2-bromododecanoate6974-87-4Ethyl alpha-bromo laurateDodecanoic acid, 2-bromo-, ethyl esterEINECS 230-227-2Ethyl .alpha.-bromo laurateNSC 22012RefChem:138575230-227-2VGYZSIMAKGWWOP-UHFFFAOYSA-NETHYLA-BROMOLAURATE2-Bromolauric acid ethyl ester
Show more names
Ethyl2-bromoLaurateEthyl α-bromolaurate2-Bromododecanoic acid ethyl esterα-Bromo-dodecanoic acid ethyl esterEthyl 2-bromo dodecanoate (Laurate)
SCHEMBL4704070DTXSID401284271NSC22012NSC-22012alpha-bromo-dodecanoic acid ethyl esterDB-055336NS00044442
Database identifiers
- CAS
6974-87-4- PubChem CID
- 95583
- DTXSID
DTXSID401284271- EC Number
- 230-227-2
- Nikkaji
- J266.031H
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 168 · 168-173 °C(Press: 14 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
Loading…