Basic information
- CAS
611-22-3- Standard SMILES
Cc1ccccc1NO- InChIKey
OMYXQGTUTCZGCI-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Overview
metabolite of 2-toluidine & 2-nitrosotoluene; structure given in first source
Names & identifiers
- Preferred name
- N-(2-Methylphenyl)hydroxylamine
- IUPAC
- N-(2-methylphenyl)hydroxylamine
- English name
- N-hydroxy-2-toluidine
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
N-Hydroxy-2-toluidine611-22-3N-Hydroxy-o-toluidineN-(2-methylphenyl)hydroxylamineN-Hydroxy-2-methylbenzenamineCCRIS 1235Benzenamine, N-hydroxy-2-methyl-L90UBW6LOADTXSID00209975RefChem:926711DTXCID50132466612-088-3
Show more names
ORTHO-TOLYLHYDROXYLAMINEN-HYDROXY-ORTHO-TOLUIDINE
N-(o-Tolyl)hydroxylamineN-o-tolylhydroxylamineN-(2-Methylphenyl)-hydroxylamineo-TolylhydroxylamineBRN 0774603TolylhydroxylaminHYDROXYLAMINE, N-o-TOLYL-starbld0048871
Database identifiers
- CAS
611-22-3- PubChem CID
- 11908
- DTXSID
DTXSID00209975- UNII
- L90UBW6LOA
- EC Number
- 612-088-3
- Nikkaji
- J29.542F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 44 °C · 44°C
- Boiling point
- 229.26 °C · 229.26°C (rough estimate)
- Density
- 1.0877 · 1.0877 (rough estimate)
- refractive index
- 1.538 · 1.5380 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Dichloromethane; Ethyl Acetate
- form
- Oil
- pka
- 9.02 · 9.02±0.70(Predicted)
- color
- Orange - Red
- FDA UNII
- 90 UBW6LOA · L90UBW6LOA
Chemistry & industry
Applications
UsesN-(o-Tolyl)hydroxylamine is an intermediate in the synthesis of Pyrametostrobin (P847010), a novel fungicide. Also, it is derived from 1-Methyl-2-nitrobenzene (N572306), which is a toxic pollutant of the environment because of its large scale use in the production of explosives. It is a useful synthetic intermediate. It shows carcinogenic activity in rats.
Suppliers2 total
上海指月生物科技有限公司13918644899 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
Related reactions
13 records
Compound notes
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