Basic information
- CAS
64346-04-9- Standard SMILES
Cc1c(Cl)cc(Cl)cc1[N+](=O)[O-]- InChIKey
KQNSTNFHXQINJB-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2NO2
- Average molar mass
- 206.02 g/mol
- Monoisotopic mass
- 204.9697338
Names & identifiers
- Preferred name
- 1,5-Dichloro-2-methyl-3-nitrobenzene
- IUPAC
- 1,5-dichloro-2-methyl-3-nitrobenzene
- English name
- 2,4-DICHLORO-6-NITROTOLUENE
- Molecular formula
- C7H5Cl2NO2
- Molecular weight
- 206.03
Names & synonyms
1,5-Dichloro-2-methyl-3-nitrobenzene64346-04-9DTXSID20597902RefChem:221262DTXCID705486612,4-DICHLORO-6-NITROTOLUENESCHEMBL3864393KQNSTNFHXQINJB-UHFFFAOYSA-NDS-0209802-nitro-4,6-dichloro-toluene2,5-dichloro-1-methyl-3-nitrobenzeneBenzene, 1,5-dichloro-2-methyl-3-nitro-
Database identifiers
- CAS
64346-04-9- PubChem CID
- 19082693
- DTXSID
DTXSID20597902- Nikkaji
- J753.721B
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 183
Physicochemical properties
- Melting point
- 60 °C · 60 °C
- Boiling point
- 262.4 · 262.4±35.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
宁波智锐新材料有限公司0574-87487840-805 15888368997
上海固帮新材料科技有限公司021-51317962 · [email protected]
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
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