Basic information
- Standard SMILES
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1- InChIKey
XUJKRQHILJWOBB-UHFFFAOYSA-N- Molecular formula
- C15H14N2O5
- Average molar mass
- 302.28 g/mol
Names & identifiers
- Preferred name
- N-(2,4-dimethoxyphenyl)-4-nitrobenzamide
- IUPAC
- N-(2,4-dimethoxyphenyl)-4-nitrobenzamide
- English name
- N-(2,4-Dimethoxyphenyl)-4-nitrobenzamide
- Molecular formula
- C15H14N2O5
- Molecular weight
- 302.28
Names & synonyms
N-(2,4-dimethoxyphenyl)-4-nitrobenzamide152586-90-8Benzamide, N-(2,4-dimethoxyphenyl)-4-nitro-Cambridge id 5107184Oprea1_239815Oprea1_420408SCHEMBL8713312XUJKRQHILJWOBB-UHFFFAOYSA-NSTK041505AKOS000602292ST0107764-Nitro-N-(2,4-dimethoxyphenyl)benzamide
Show more names
N-(2,4-Dimethoxyphenyl)-4-nitrobenzamide,97%
DB-125398N-(2,4-dimethoxyphenyl)-4-nitro-benzamideCS-0324305AB00073794-01N-(2,4-dimethoxyphenyl)(4-nitrophenyl)carboxamideZ26714536
Database identifiers
- CAS
152586-90-8- PubChem CID
- 710798
- EC Number
- 141-027-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 414 · 414.0±45.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 10.94 · 10.94±0.70(Predicted)
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
1 records
Linked notes
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