Basic information
- CAS
781-15-7- Standard SMILES
O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1[N+](=O)[O-]- InChIKey
XDIPOBQVBXLETD-UHFFFAOYSA-N- Molecular formula
- C6Cl4N2O4
- Average molar mass
- 305.9 g/mol
- Monoisotopic mass
- 303.8612172
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrachloro-5,6-dinitrobenzene
- IUPAC
- 1,2,3,4-tetrachloro-5,6-dinitrobenzene
- English name
- 1,2,3,4-Tetrachloro-5,6-dinitrobenzene
- Molecular formula
- C6Cl4N2O4
- Molecular weight
- 305.89
Names & synonyms
1,2,3,4-Tetrachloro-5,6-dinitrobenzene781-15-71,2-DinitrotetrachlorobenzeneEINECS 212-306-3Benzene, 1,2,3,4-tetrachloro-5,6-dinitro-DTXSID50228732RefChem:71289DTXCID00151223212-306-3MFCD000526721,2,3,4-tetrachloro-5,6-dinitro-benzenetetrachlorodinitrobenzene
Show more names
Benzene,1,2,3,4-tetrachloro-5,6-dinitro-
SCHEMBL4706746AKOS0302321941,2-dinitro-3,4,5,6-tetrachlorobenzeneNS00037969
Database identifiers
- CAS
781-15-7- PubChem CID
- 69905
- DTXSID
DTXSID50228732- EC Number
- 212-306-3
- Nikkaji
- J193.173C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 385.8 · 385.8±37.0 °C(Predicted)
- Density
- 1.9 · 1.900±0.06 g/cm3(Predicted)
- HS Code
- 2921490090 · 2921490090
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
- hs_code
- 2921490090
Chemistry & industry
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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