Basic information
- CAS
4551-76-2- Standard SMILES
Cc1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-]- InChIKey
TXZXZIKHDOCRFD-UHFFFAOYSA-N- Molecular formula
- C8H7N3O5
- Average molar mass
- 225.16 g/mol
- Monoisotopic mass
- 225.03857033
Names & identifiers
- Preferred name
- 4-Methyl-3,5-dinitrobenzamide
- IUPAC
- 4-methyl-3,5-dinitrobenzamide
- English name
- 4-methyl-3,5-dinitro-benzamide
- Molecular formula
- C8H7N3O5
- Molecular weight
- 225.16
Names & synonyms
4-Methyl-3,5-dinitrobenzamide4551-76-2DTXSID90391414RefChem:99762DTXCID00342275TXZXZIKHDOCRFD-UHFFFAOYSA-NBenzamide, 4-methyl-3,5-dinitro-MFCD004526084-Methyl-3,5-dinitro-benzamideSCHEMBL4638638ALBB-023181benzamide, 3,5-dinitro-4-methyl-
Show more names
STK392167AKOS000297760LS-07252ST4089909CS-0323111H33887
Database identifiers
- CAS
4551-76-2- PubChem CID
- 3318698
- DTXSID
DTXSID90391414- Nikkaji
- J1.583.967H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 293.1 · 293.1±40.0 °C(Predicted)
- Density
- 1.52 · 1.520±0.06 g/cm3(Predicted)
- pka
- 13.94 · 13.94±0.50(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 228 · H228-H301+H311+H331-H315-H319
- Precautionary statements
- 240 · P240-P210-P241-P280-P370+P378-P501-P261-P270-P271-P264-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS07
- Hazard statements
- H228-H301+H311+H331-H315-H319
- Precautionary statements
- P240-P210-P241-P280-P370+P378-P501-P261-P270-P271-P264-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Chemistry & industry
Suppliers4 total
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
10 records
Compound notes
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