Chemical Properties of Phosphoric acid, dimethyl 3-methyl-4-nitrophenyl ester (CAS 2255-17-6)

InChI

InChI=1S/C9H12NO6P/c1-7-6-8(4-5-9(7)10(11)12)16-17(13,14-2)15-3/h4-6H,1-3H3

InChI Key

MJNAIAPNXYJWCT-UHFFFAOYSA-N

Formula

C9H12NO6P

SMILES

COP(=O)(OC)Oc1ccc([N+](=O)[O-])c(C)c1

Molecular Weight¹

261.17

CAS

2255-17-6

Other Names

Accothion O-analog
BAY 42247
m-Cresol, 4-Nitro-, dimethyl phosphate
Dimethyl 4-nitro-m-tolyl phosphate
Fenitrooxon
Fenitrooxone
Fenitrothion oxon
Fenitrothion oxygen analog
Metaoxon
Oxo-Sumithion
Phosphoric acid, dimethyl 4-nitro-m-tolyl ester
Sumioxon
Sumioxone
O,O-Dimethyl O-(3-methyl-4-nitrophenyl)phosphate
Fenitroxon
3-Methyl-4-nitrophenyl dimethyl phosphate
Fenitrothion O-analog
3-Methyldimethylparaoxon
O,O-Dimethyl O-(3-methyl-4-nitrophenyl)phosphorate

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-4.57		Crippen Calculated Property
logP_oct/wat	2.683		Crippen Calculated Property
McVol	175.270	ml/mol	McGowan Calculated Property
I_np	[1800.00; 1871.00]
I_np	1871.00		NIST
I_np	1800.00		NIST
I_np	1800.00		NIST

Similar Compounds

Find more compounds similar to Phosphoric acid, dimethyl 3-methyl-4-nitrophenyl ester.

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