4-Chloro-2-nitrotoluene
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Product Description
Product
4-Chloro-2-nitrotoluene
CAS
89-59-8
Formula
C7H6ClNO2
Synonym
4-Chloro-2-nitrotoluene; Benzene, 4-chloro-1-methyl-2-nitro-; p-Chloro-o-nitrotoluene; 2-Nitro-4-chlorotoluene; 4,2-Chloronitrotoluene
Typical Product Specifications
Molecular weight
171.58
SMILES
c1(c(ccc(c1)Cl)C)[N+](=O)[O-]
InChI
1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey
SQFLFRQWPBEDHM-UHFFFAOYSA-N
log P (octanol-water)
3.05
Atmospheric OH Rate Constant
3.22E-13 cm3/molecule-sec
Melting Point
38 ° C
Water solubility
61.2 mg/L
Vapor Pressure
0.011 mm Hg
Boiling Point
242 ° C
Henry's Law Constant
1.74E-05 atm-m3/mole
Class
4-Chloro-2-nitrotoluene
Product Description
Product
4-Chloro-2-nitrotoluene
CAS
89-59-8
Formula
C7H6ClNO2
Synonym
4-Chloro-2-nitrotoluene; Benzene, 4-chloro-1-methyl-2-nitro-; p-Chloro-o-nitrotoluene; 2-Nitro-4-chlorotoluene; 4,2-Chloronitrotoluene
Typical Product Specifications
Molecular weight
171.58
SMILES
c1(c(ccc(c1)Cl)C)[N+](=O)[O-]
InChI
1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey
SQFLFRQWPBEDHM-UHFFFAOYSA-N
log P (octanol-water)
3.05
Atmospheric OH Rate Constant
3.22E-13 cm3/molecule-sec
Melting Point
38 ° C
Water solubility
61.2 mg/L
Vapor Pressure
0.011 mm Hg
Boiling Point
242 ° C
Henry's Law Constant
1.74E-05 atm-m3/mole
Class
