N-methyl-3-nitrobenzamide
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Basic information
- CAS
3400-26-8- Standard SMILES
CNC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
KKNRKRLMGLMZDK-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- N-methyl-3-nitrobenzamide
- IUPAC
- N-methyl-3-nitrobenzamide
- English name
- N-methyl-3-nitrobenzamide
- Molecular formula
- C8H8N2O3
- Molecular weight
- 180.16
Names & synonyms
N-methyl-3-nitrobenzamide3400-26-8DTXSID30278376RefChem:1091891DTXCID20229534MFCD00714941N-Methyl-3-nitro-benzamideBenzamide, N-methyl-3-nitro-NSC7097Oprea1_590681SCHEMBL10355SCHEMBL4577705
Show more names
SCHEMBL6959553SCHEMBL7525861SCHEMBL7584692SCHEMBL9319698BenzaMide, 3-nitro-N-Methyl-N-methyl(3-nitrophenyl)carboxamideCS-M0747NSC-7097
Database identifiers
- CAS
3400-26-8- PubChem CID
- 221964
- DTXSID
DTXSID30278376- EC Number
- 191-316-9
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- 1S/C8H8N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H3,(H,9,11)
- SMILES
- O=C(NC)C1=CC=CC([N+]([O-])=O)=C1
- Comptox DTXSID
- 30278376 · DTXSID30278376
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- HS Code
- 2924297099 · 2924297099
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
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
14 records
Compound notes
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