1,2,3-Trichloropropane-2,3-oxide
Basic information
- CAS
67664-94-2- Standard SMILES
ClCC1(Cl)OC1Cl- InChIKey
DYECKDYMOMKTBW-UHFFFAOYSA-N- Molecular formula
- C3H3Cl3O
- Average molar mass
- 161.41 g/mol
- Monoisotopic mass
- 159.924948
Names & identifiers
- Preferred name
- 1,2,3-Trichloropropane-2,3-oxide
- IUPAC
- 2,3-dichloro-2-(chloromethyl)oxirane
- English name
- 1,2,3-Trichloropropane-2,3-oxide
- Molecular formula
- C3H3Cl3O
- Molecular weight
- 161.41
Names & synonyms
1,2,3-Trichloropropane-2,3-oxide67664-94-241V4658HSWTrichloropropylene2,3-dichloro-2-(chloromethyl)oxiranePropane, 1,2-epoxy-1,2,3-trichloro-UNII-41V4658HSWOxirane, 2,3-dichloro-2-(chloromethyl)-SCHEMBL4576053DTXSID80987027AKOS006279615Q27258465
Show more names
TRICHLOROPROPENEOXIDE1,2,3-Trichloropropane 2,3-epoxide
Database identifiers
- CAS
67664-94-2- PubChem CID
- 149756
- DTXSID
DTXSID80987027- UNII
- 41V4658HSW
- Nikkaji
- J2.790A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 86.2
Physicochemical properties
- Boiling point
- 226.05 °C · 226.05°C (rough estimate)
- Density
- 1.6381 · 1.6381 (rough estimate)
- refractive index
- 1.489 · 1.4890 (estimate)
- FDA UNII
- 41 V4658HSW · 41V4658HSW
- Toxicity
- 500 mmol/L · mmo-sat 500 mmol/L TOLED5 4,103,79
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mmo-sat 500 mmol/L TOLED5 4,103,79
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Compound notes
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