Alpha-(5-nitro-O-tolylimino)-O-cresol
Basic information
- CAS
67912-41-8- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1N=Cc1ccccc1O- InChIKey
JYUYXVCTSZXVHJ-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- Alpha-(5-nitro-O-tolylimino)-O-cresol
- IUPAC
- 2-[(2-methyl-5-nitrophenyl)iminomethyl]phenol
- English name
- 2-{[(2-methyl-5-nitrophenyl)imino]methyl}phenol
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
ALPHA-(5-NITRO-O-TOLYLIMINO)-O-CRESOLRefChem:555284653-364-3AC1NSD6B67912-41-8DTXSID70416331MFCD00024774STK022570(6E)-6-[(2-methyl-5-nitroanilino)methylidene]cyclohexa-2,4-dien-1-oneAKOS000483393ZINC000000297572Cc1ccc(cc1N=Cc1ccccc1O)(N+)(=O)(O)
Show more names
2-{[(2-methyl-5-nitrophenyl)imino]methyl}phenol
ST450302502((E)((2methyl5nitrophenyl)imino)methyl)phenolSR-01000204349SR-01000204349-12-[(1E)-2-(2-methyl-5-nitrophenyl)-2-azavinyl]phenol
Database identifiers
- CAS
67912-41-8- PubChem CID
- 794593
- DTXSID
DTXSID70416331- EC Number
- 653-364-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 100 · 100-103 °C(Solvent: Methanol)
- Boiling point
- 448.629 · 448.629±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.235 · 1.235±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.289 · 8.289±0.30(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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