4-Methyl-3-nitrophenol
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Product Description
Product
4-Methyl-3-nitrophenol
CAS
2042-14-0
Formula
C7H7NO3
Synonym
Phenol, 4-methyl-3-nitro-; 2-Nitro-4-hydroxytoluene; 3-Nitro-4-methylphenol; 3-Nitro-p-cresol; 4-Hydroxy-2-nitrotoluene; p-Cresol, 3-nitro-
Typical Product Specifications
Molecular weight
153.14
SMILES
c1(c(ccc(c1)O)C)[N+](=O)[O-]
InChI
1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3
InChIKey
BQEXDUKMTVYBRK-UHFFFAOYSA-N
log P (octanol-water)
2.18
Atmospheric OH Rate Constant
3.85E-12 cm3/molecule-sec
Henry's Law Constant
2.44E-09 atm-m3/mole
pKa Dissociation Constant
8.62
Vapor Pressure
6.32E-04 mm Hg
Water solubility
3840 mg/L
Chemical Structure
Class
4-Methyl-3-nitrophenol
Product Description
Product
4-Methyl-3-nitrophenol
CAS
2042-14-0
Formula
C7H7NO3
Synonym
Phenol, 4-methyl-3-nitro-; 2-Nitro-4-hydroxytoluene; 3-Nitro-4-methylphenol; 3-Nitro-p-cresol; 4-Hydroxy-2-nitrotoluene; p-Cresol, 3-nitro-
Typical Product Specifications
Molecular weight
153.14
SMILES
c1(c(ccc(c1)O)C)[N+](=O)[O-]
InChI
1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3
InChIKey
BQEXDUKMTVYBRK-UHFFFAOYSA-N
log P (octanol-water)
2.18
Atmospheric OH Rate Constant
3.85E-12 cm3/molecule-sec
Henry's Law Constant
2.44E-09 atm-m3/mole
pKa Dissociation Constant
8.62
Vapor Pressure
6.32E-04 mm Hg
Water solubility
3840 mg/L
Chemical Structure
Class
