Basic information
- CAS
25006-60-4- Standard SMILES
CC(C)OC(=O)C(Cl)Cl- InChIKey
JBTISLVNJCYZCH-UHFFFAOYSA-N- Molecular formula
- C5H8Cl2O2
- Average molar mass
- 171.02 g/mol
- Monoisotopic mass
- 169.9901349
Names & identifiers
- Preferred name
- Isopropyl dichloroacetate
- IUPAC
- propan-2-yl 2,2-dichloroacetate
- English name
- isopropyl dichloroacetate
- Molecular formula
- C5H8Cl2O2
- Molecular weight
- 171.02
Names & synonyms
Isopropyl dichloroacetate25006-60-4propan-2-yl 2,2-dichloroacetateisopropyl 2,2-dichloroacetateAcetic acid, dichloro-, 1-methylethyl esterMFCD17013424EINECS 246-561-7Propan-2-yl dichloroacetateL9JFS96QE3SCHEMBL3678091DTXSID101797111-Methylethyl 2,2-dichloroacetate
Show more names
Dichloroacetic acid isopropyl esterDichloroacetic acid 1-methylethyl ester
dichloro-acetic acid isopropyl esterNS00027786Acetic acid, 2,2-dichloro-, 1-methylethyl ester
Database identifiers
- CAS
25006-60-4- PubChem CID
- 90683
- DTXSID
DTXSID10179711- UNII
- L9JFS96QE3
- EC Number
- 246-561-7
- Nikkaji
- J236.028D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 242.14 °C · 242.14°C (rough estimate)
- Density
- 1.2053 · 1.2053
- refractive index
- 1.4328 · 1.4328 (estimate)
Chemistry & industry
Suppliers10 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
扬州长华生物科技有限公司15189846850 13815846020 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
2 records
Compound notes
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