2-Amino-5-nitrobenzamide
Basic information
- CAS
16313-65-8- Standard SMILES
NC(=O)c1cc([N+](=O)[O-])ccc1N- InChIKey
SOBQOVZAFJDEJI-UHFFFAOYSA-N- Molecular formula
- C7H7N3O3
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.04874108
Names & identifiers
- Preferred name
- 2-Amino-5-nitrobenzamide
- IUPAC
- 2-amino-5-nitrobenzamide
- English name
- 5-NitroanthranilaMide
- Molecular formula
- C7H7N3O3
- Molecular weight
- 181.15
Names & synonyms
2-Amino-5-nitrobenzamide16313-65-85-NitroanthranilamideBenzamide, 2-amino-5-nitro-DTXSID00167521NSC 142033RefChem:255746DTXCID3090012605-314-72-Amino-5-nitro benzamideMFCD000902352-amino-5-nitro-benzamide
Show more names
2-CarbaMoyl-4-nitroaniline
2-Amino-5-nitrobenzamide; 2-Carbamoyl-4-nitroaniline; 2-Amino-5-nitro-benzamide; NSC 142033;NSC142033Oprea1_177136SCHEMBL346217SCHEMBL22890327TQP0789SOBQOVZAFJDEJI-UHFFFAOYSA-NSBB089771
Database identifiers
- CAS
16313-65-8- PubChem CID
- 97665
- DTXSID
DTXSID00167521- EC Number
- 605-314-7
- Nikkaji
- J29.496I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 236.4 · 236.4-237.0 °C
- Boiling point
- 358.8 · 358.8±22.0 °C(Predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO
- form
- Solid
- pka
- 14.63 · 14.63±0.50(Predicted)
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
- 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.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesIntermediate in the preparation of nitro substituted quinazolones.
Upstream & downstream products
Upstream raw materials
Related reactions
14 records
Compound notes
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