4-Nitroso-3-methylphenol
Basic information
- CAS
615-01-0- Standard SMILES
Cc1cc(O)ccc1N=O- InChIKey
XGCZABZDVJOWTL-UHFFFAOYSA-N- Molecular formula
- C7H7NO2
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.04767847
Names & identifiers
- Preferred name
- 4-Nitroso-3-methylphenol
- IUPAC
- 3-methyl-4-nitrosophenol
- English name
- 4-nitroso-m-cresol
- Molecular formula
- C7H7NO2
- Molecular weight
- 137.14
Names & synonyms
3-Methyl-4-nitrosophenolp-Nitroso-m-cresol615-01-04-Nitroso-m-cresolm-CRESOL, 4-NITROSO-Phenol, 3-methyl-4-nitroso-4-Nitroso-3-cresol4-Nitroso-3-methylphenolAV0MPT9XZEEINECS 210-405-6NSC 21470BRN 2206014
Show more names
4-Nitroso-m-methylphenol
AI3-18991NSC-21470NSC-677513DTXSID40210464RefChem:526022DTXCID40132955210-405-6NSC677513
Database identifiers
- CAS
615-01-0- PubChem CID
- 11981
- DTXSID
DTXSID40210464- UNII
- AV0MPT9XZE
- EC Number
- 210-405-6
- Nikkaji
- J48.513F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 294.6 · 294.6±33.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 6 · 6+-.0.18(Predicted)
- FDA UNII
- 0 MPT9XZE · AV0MPT9XZE
- 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 39 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
Applications
UsesA minor product formed during the metabolism of 4-nitro-m-cresol by ridgeback prawns.
Suppliers
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Related reactions
1 records
Compound notes
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