Basic information
- CAS
1071-71-2- Standard SMILES
CCOC(=O)CCCCC(=O)Cl- InChIKey
VEOZBFFLKPBVIY-UHFFFAOYSA-N- Molecular formula
- C8H13ClO3
- Average molar mass
- 192.64 g/mol
- Monoisotopic mass
- 192.055322
Names & identifiers
- Preferred name
- Hexanoic acid, 6-chloro-6-oxo-, ethyl ester
- IUPAC
- ethyl 6-chloro-6-oxohexanoate
- English name
- ethyl 6-chloro-6-oxohexanoate
- Molecular formula
- C8H13ClO3
- Molecular weight
- 192.64
Names & synonyms
Ethyl 6-chloro-6-oxohexanoateHEXANOIC ACID, 6-CHLORO-6-OXO-, ETHYL ESTERBRN 1100317P7RYK2R5ADEINECS 213-993-2DTXSID701479164-02-00-01971 (Beilstein Handbook Reference)RefChem:146248DTXCID4070407213-993-21071-71-26-Chloro-6-oxo-hexanoic acid, ethyl ester
Show more names
CAS_1071-71-2Lipoic acid impurity 38.Thioctic Acid Impurity 41Ethyladylinata chloranhydride6-Oxo-6-chlorohexanoic acid ethyl ester6-Chloro-6-oxohexanoic acid ethyl esterEthyl 6-chloro-6-oxohexanoate (Thioctic Acid Impurity)
Lipoic acid impurity 15MFCD01723372ethyl 5-chloroformylpentanoateHexanoic acid,6-chloro-6-oxo-, ethyl esterUNII-P7RYK2R5ADEthyl6-chloro-6-oxohexanoateSCHEMBL4197578ethyl 6-chloro-6-oxo-hexanoate
Database identifiers
- CAS
1071-71-2- PubChem CID
- 14065
- DTXSID
DTXSID70147916- UNII
- P7RYK2R5AD
- EC Number
- 213-993-2
- Nikkaji
- J73.707K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 128 °C · 128 °C(Press: 17 Torr)
- Density
- 1.1125 g/cm3 · 1.1125 g/cm3
- storage temp.
- -20 °C · Storage temp. -20°C
- Appearance
- Light yellow to orange Liquid
- FDA UNII
- 7 RYK2R5AD · P7RYK2R5AD
Chemistry & industry
Applications
UsesEthyl 6-chloro-6-oxohexanoate is an important organic intermediate used in the synthesis of lipoic acid. Lipoic acid is known as a "universal antioxidant" and is widely used to treat and prevent various diseases such as heart disease, diabetes, and Alzheimer's disease. It has broad prospects in both domestic and international markets.
Upstream & downstream products
Downstream products
Suppliers33 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Related reactions
8 records
Compound notes
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