Basic information
- CAS
6597-38-2- Standard SMILES
COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC- InChIKey
XASHOUQQWOXQNP-UHFFFAOYSA-N- Molecular formula
- C16H16N2O6
- Average molar mass
- 332.31 g/mol
- Monoisotopic mass
- 332.10083623
Names & identifiers
- Preferred name
- 3,4,5-Trimethoxy-N-(3-nitrophenyl)benzamide
- IUPAC
- 3,4,5-trimethoxy-N-(3-nitrophenyl)benzamide
- English name
- Benzamide, 3,4,5-trimethoxy-N-(3-nitrophenyl)-
- Molecular formula
- C16H16N2O6
- Molecular weight
- 332.31
Names & synonyms
3,4,5-Trimethoxy-N-(3-nitrophenyl)benzamide6597-38-2RefChem:485756662-388-3N-{3-nitrophenyl}-3,4,5-trimethoxybenzamideCambridge id 5266399Oprea1_136795XASHOUQQWOXQNP-UHFFFAOYSA-NAKOS001700454AKOS005431384AKOS037478471Benzanilide, 3,4,5-trimethoxy-3'-nitro-
Show more names
EU-0050866ST452366093,4,5-Trimethoxy-N-(3-nitrophenyl)benzamide #AB00077977-01AG-205/03645059AG-205/09848049Benzamide, 3,4,5-trimethoxy-N-(3-nitrophenyl)-SR-01000509939
Database identifiers
- CAS
6597-38-2- PubChem CID
- 607002
- EC Number
- 662-388-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Melting point
- 199 °C · 199 °C
- Boiling point
- 431.5 · 431.5±45.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 11.92 · 11.92±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…