Basic information
- CAS
29418-59-5- Standard SMILES
COc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
CHGPHWNJICZVNY-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-2-(4-nitrophenyl)diazene
- IUPAC
- (4-methoxyphenyl)-(4-nitrophenyl)diazene
- English name
- 4-Nitro-4'-methoxyazobenzene
- Molecular formula
- C13H11N3O3
- Molecular weight
- 257.24
Names & synonyms
1-(4-methoxyphenyl)-2-(4-nitrophenyl)diazeneRefChem:42575329418-59-54'-Methoxy-4-nitroazobenzeneAzobenzene, 4'-methoxy-4-nitro-NSC 86534BRN 0918879NSC86534(e)-(4-methoxyphenyl)(4-nitrophenyl)diazeneNCIOpen2_00511820488-62-420488-63-5
Show more names
4-Nitro-4'-methoxyazobenzene4'-Nitro-4-methoxyazobenzene4-METHOXY-4'-NITROAZOBENZENEDiazene, 1-(4-methoxyphenyl)-2-(4-nitrophenyl)-
3-16-00-00089 (Beilstein Handbook Reference)4-(4'-Nitrophenylazo)anisole4-nitro-4'-methoxy-azobenzeneSCHEMBL3284432SCHEMBL3284435SCHEMBL13101803CHGPHWNJICZVNY-UHFFFAOYSA-NDTXSID201037888
Database identifiers
- CAS
29418-59-5- PubChem CID
- 34576
- DTXSID
DTXSID201037888- EC Number
- 688-684-2
- Nikkaji
- J2.001.375C、J2.072.478A、J84.800J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 434.4 · 434.4±25.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
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
2 records
Compound notes
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