Basic information
- CAS
16255-50-8- Standard SMILES
O=[N+]([O-])c1cc(CCl)ccc1CCl- InChIKey
AJBJABQEANMSMG-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NO2
- Average molar mass
- 220.05 g/mol
- Monoisotopic mass
- 218.9853839
Names & identifiers
- Preferred name
- 1,4-Bis(chloromethyl)-2-nitrobenzene
- IUPAC
- 1,4-bis(chloromethyl)-2-nitrobenzene
- English name
- Benzene,1,4-bis(chloromethyl)-2-nitro-
- Molecular formula
- C8H7Cl2NO2
- Molecular weight
- 220.05
Names & synonyms
1,4-bis(chloromethyl)-2-nitrobenzene16255-50-8DTXSID20326173RefChem:220219DTXCID70277287MFCD13704382Benzene, 1,4-bis(chloromethyl)-2-nitro-NSC525118SCHEMBL6017659CHEMBL1971610SCHEMBL30595359ALBB-026253
Show more names
1-nitro-2,5-bis-(chloromethyl)benzeneBenzene,1,4-bis(chloromethyl)-2-nitro-
SBB072944AKOS015998470NSC 525118NSC-5251181,4-bis(chloromethyl)-2-nitro-benzeneLS-08916NCI60_004281DS-009987
Database identifiers
- CAS
16255-50-8- PubChem CID
- 352121
- DTXSID
DTXSID20326173- ChEMBL
CHEMBL1971610
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 34.7 °C · 34.7 °C(Solv: hexane (110-54-3))
- Boiling point
- 344.7 · 344.7±32.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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