Basic information
- CAS
313497-60-8- Standard SMILES
COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1- InChIKey
YKZOYVJRPCTZFS-UHFFFAOYSA-N- Molecular formula
- C14H11N3O6
- Average molar mass
- 317.25 g/mol
- Monoisotopic mass
- 317.06478508
Names & identifiers
- Preferred name
- N-(4-Methoxy-2-nitrophenyl)-3-nitrobenzamide
- IUPAC
- N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
- English name
- SALOR-INT L172103-1EA
- Molecular formula
- C14H11N3O6
- Molecular weight
- 317.25
Names & synonyms
N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamideRefChem:827730313497-60-8632-721-7Oprea1_165192STK055902AKOS000604530ST061077EU-0000313N-(4-methoxy-2-nitrophenyl)(3-nitrophenyl)carboxamideSALOR-INT L172103-1EABenzamide, N-(4-methoxy-2-nitrophenyl)-3-nitro-
Database identifiers
- CAS
313497-60-8- PubChem CID
- 3101366
- EC Number
- 632-721-7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 434.9 · 434.9±45.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- pka
- 10 · 10+-.0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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