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

CAS
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CAS
609-93-8
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Catalog Number

ACM609938

Product Name

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

Structure

CAS

609-93-8

Category

Heterocyclic Organic Compound

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

Decomposition

When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

EC Number

210-203-8

Exact Mass

198.027671g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

LogP

log Kow = 2.27 (est)

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

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

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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