Basic information
- CAS
169945-47-5- Standard SMILES
COc1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1- InChIKey
HUMYECVYADBLCY-UHFFFAOYSA-N- Molecular formula
- C15H14N2O5
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.09027155
Names & identifiers
- Preferred name
- N-(2,5-Dimethoxyphenyl)-4-nitrobenzamide
- IUPAC
- N-(2,5-dimethoxyphenyl)-4-nitrobenzamide
- English name
- SALOR-INT L172227-1EA
- Molecular formula
- C15H14N2O5
- Molecular weight
- 302.28
Names & synonyms
N-(2,5-dimethoxyphenyl)-4-nitrobenzamide169945-47-5RefChem:824063632-747-9Benzamide, N-(2,5-dimethoxyphenyl)-4-nitro-Cambridge id 5301214Oprea1_365101Oprea1_814488SCHEMBL4254980DTXSID101376883STK164188AKOS000604349
Show more names
SALOR-INT L172227-1EA
ST0607464-Nitro-N-(2,5-dimethoxyphenyl)benzamideDB-188274AB00079354-01N-(2,5-dimethoxyphenyl)(4-nitrophenyl)carboxamide
Database identifiers
- CAS
169945-47-5- PubChem CID
- 532160
- DTXSID
DTXSID101376883- EC Number
- 632-747-9
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 412 · 412.0±45.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 11.07 · 11.07±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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)
Aggregated GHS information provided per 39 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
Upstream & downstream products
Upstream raw materials
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
Related reactions
1 records
Compound notes
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