Basic information
- CAS
27864-13-7- Standard SMILES
O=[N+]([O-])c1c(Cl)ccc(Cl)c1Cl- InChIKey
UDEAXERKYRDHTE-UHFFFAOYSA-N- Molecular formula
- C6H2Cl3NO2
- Average molar mass
- 226.4 g/mol
- Monoisotopic mass
- 224.91511134
Names & identifiers
- Preferred name
- 1,2,4-Trichloro-3-nitrobenzene
- IUPAC
- 1,2,4-trichloro-3-nitrobenzene
- English name
- 1,2,4-Trichloro-3-nitrobenzene
- Molecular formula
- C6H2Cl3NO2
- Molecular weight
- 226.44
Names & synonyms
1,2,4-Trichloro-3-nitrobenzene27864-13-7DTXSID90423709RefChem:215285DTXCID10374547UDEAXERKYRDHTE-UHFFFAOYSA-N1,2,4-Trichloro-3-nitro-benzenetrichloro-2-nitrobenzene1,2,4-trichloronitrobenzeneSCHEMBL109809192,3,6-Trichloro-1-nitrobenzeneBenzene, 1,2,4-trichloro-3-nitro-
Database identifiers
- CAS
27864-13-7- PubChem CID
- 6424575
- DTXSID
DTXSID90423709- Nikkaji
- J141.355D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 293.9 · 293.9±35.0 °C(Predicted)
- Density
- 1.651 · 1.651±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
Loading…