4-Nitrobenzimidazole
Completing data — refresh the page later to see the latest
Basic information
- CAS
10597-52-1- Standard SMILES
O=[N+]([O-])c1cccc2[nH]cnc12- InChIKey
NEJMFSBXFBFELK-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.0381764
Names & identifiers
- Preferred name
- 4-Nitrobenzimidazole
- IUPAC
- 4-nitro-1H-benzimidazole
- English name
- 4(7)-NITROBENZIMIDAZOLE
- Molecular formula
- C7H5N3O2
- Molecular weight
- 163.13
Names & synonyms
4-Nitro-1H-benzimidazole4-NitrobenzimidazoleBenzimidazole, 4-nitro-DTXSID00147449Benzimidazole, 4(or 7)-nitro-RefChem:295060DTXCID7069940NEJMFSBXFBFELK-UHFFFAOYSA-N10597-52-17-nitro-1H-benzo[d]imidazole4(7)-Nitrobenzimidazole4-nitro-1H-1,3-benzodiazole
Show more names
4-nitro-benzimidazol4-nitro-1h-benzimidazol4-Nitro-1H-benzoimidazole1H-Benzimidazole, 7-nitro-
1H-Benzimidazole, 4-nitro-4-nitro-1H-benzo[d]imidazoleMFCD002201437-nitrobenzimidazoleCHEMBL16838769926-30-31H-Benzimidazole,7-nitro-(9CI)BDBM50404937
Database identifiers
- CAS
10597-52-1- PubChem CID
- 160949
- DTXSID
DTXSID00147449- ChEMBL
CHEMBL168387- Nikkaji
- J2.277B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 238 · 238-239 °C
- Boiling point
- 475.7 · 475.7±18.0 °C(Predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.21 · 9.21±0.30(Predicted)
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
6 records
Compound notes
Loading…