Basic information
- CAS
10140-75-7- Standard SMILES
CC(=O)OC(OC(C)=O)C(Cl)CCl- InChIKey
MYDZFJITMAYGKQ-UHFFFAOYSA-N- Molecular formula
- C7H10Cl2O4
- Average molar mass
- 229.05 g/mol
- Monoisotopic mass
- 227.9956142
Names & identifiers
- Preferred name
- 1,1-Diacetoxy-2,3-dichloropropane
- IUPAC
- (1-acetyloxy-2,3-dichloropropyl) acetate
- English name
- 2,3-Dichloro-1,1-propanediol diacetate
- Molecular formula
- C7H10Cl2O4
- Molecular weight
- 229.06
Names & synonyms
1,1-Diacetoxy-2,3-dichloropropane10140-75-71,1-Propanediol, 2,3-dichloro-, diacetate8F80B1766QJ50.792JRefChem:10517412,3-Dichloro-1,1-propanediol diacetateBRN 1784443(1-acetyloxy-2,3-dichloropropyl) acetateUNII-8F80B1766Q2,3-dichloropropane-1,1-diyl diacetate4-02-00-00285 (Beilstein Handbook Reference)
Show more names
DTXSID60906135Q272703041,1-PROPANEDIOL, 2,3-DICHLORO-, 1,1-DIACETATE
Database identifiers
- CAS
10140-75-7- PubChem CID
- 112007
- DTXSID
DTXSID60906135- UNII
- 8F80B1766Q
- Nikkaji
- J50.792J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 327.82 °C · 327.82°C (rough estimate)
- Density
- 1.4451 · 1.4451 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- FDA UNII
- 8 F80B1766Q · 8F80B1766Q
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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