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2,6-Dinitro-p-cresol;2,6-dinitro-4-methylphenol

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Catalog NumberACM609938

CAS Number609-93-8

CategoryOther Glass and Ceramic Materials

2,6-Dinitro-p-cresol;2,6-dinitro-4-methylphenol
IUPAC Name
4-methyl-2,6-dinitrophenol
Molecular Weight
198.13g/mol
Molecular Formula
C7H6N2O5
Canonical SMILES
CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3
InChI Key
HOYRZHJJAHRMLL-UHFFFAOYSA-N
Melting Point
78.0 °C;85 °C
Solubility
Insoluble in water;Soluble in alcohol, ether, benzene
Color/Form
Yellow needles from ether or petroleum ether;Light yellow crystalline solid
Complexity
221
Covalently-Bonded Unit Count
1
EC Number
210-203-8
Exact Mass
198.027671g/mol
Formal Charge
0
Heavy Atom Count
14
Log P
log Kow = 2.27 (est)
MeSH Entry Terms
2,6-dinitro-p-cresol
Monoisotopic Mass
198.027671g/mol
NSC Number
33870
Other Experimental
Henry's Law constant = 5.30X10-8 atm-cu m/mole at 20 °C;Hydroxyl radical reaction rate constant = 3X10-13 cu cm/molecule-sec at 25 °C (est)
Rotatable Bond Count
0
Stability
APPEAR TO BE STABLE IN ACID SOLN, BUT ARE SUSCEPTIBLE TO DECOMPOSITION BY UV RADIATION IN ALKALINE SOLN. /DINITROPHENOLS/
UNII
L572BVH6NF
Vapor Pressure
2.2X10-5 mm Hg at 25 °C (est)
XLogP3
1.7
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