Fenitrothion

CAS: 122-14-5 · C9H12NO5PS

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 122-14-5
Molecular Formula: C9H12NO5PS
Molecular Mass: 277.24 g/mol

Identifiers

CAS Registry Number

122-14-5

SMILES

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

InChI Key

ZNOLGFHPUIJIMJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3

Names and Synonyms

Fenitrothion Synonym
Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-nitrophenyl) ester Synonym
Phosphorothioic acid, O,O-dimethyl O-(4-nitro-m-tolyl) ester Synonym
OMS 43 Synonym
S 112A Synonym
S 5660 Synonym
8057HC Synonym
ENT 25,715 Synonym
Bayer 41831 Synonym
CP 47114 Synonym
O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate Synonym
O,O-Dimethyl O-4-nitro-m-tolyl phosphorothioate Synonym
Fenitrothion Synonym
Metathion Synonym
Metathione Synonym
Metathionine E 50 Synonym
Nitrophos Synonym
BAY 41831 Synonym
CL 47300 Synonym
Folithion Synonym
Metathion E 50 Synonym
Monsanto CP 47114 Synonym
Sumithion Synonym
EI 47300 Synonym
Accothion Synonym
Phenitrothion Synonym
Folithion EC 50 Synonym
Metation E 50 Synonym
Agrothion Synonym
Ovadofos Synonym
O,O-Dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate Synonym
O,O-Dimethyl O-(4-nitro-3-methylphenyl)thiophosphate Synonym
O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate Synonym
O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate Synonym
MEP Synonym
O,O-Dimethyl O-4-nitro-m-tolyl thiophosphate Synonym
Bayer S 5660 Synonym
Verthion Synonym
Agriya 1050 Synonym
Oleosumifene Synonym
Metation Synonym
Agria 1050 Synonym
O,O-DiMe O-(3-methyl-4-nitrophenyl) thiophosphate Synonym
Nuvanol Synonym
MEP (pesticide) Synonym
Arbogal Synonym
Methylnitrophos Synonym
Dimethyl 4-nitro-m-tolyl phosphorothionate Synonym
Mglawik F Synonym
Owadofos Synonym
Fenition Synonym
Oleometathion Synonym
Methadion Synonym
Insectigas F Synonym
Sumithion 20F Synonym
Sumifene Synonym
Owadophos Synonym
Super Sumithion Synonym
Sumithion 20MC Synonym
Sumi oil Synonym
Sumithion 50EC Synonym
Tionfos 50 LE Synonym
Sumigran Synonym
Sumithion Super 1000EC Synonym
Sumithion Super Synonym
Paluthion Synonym
ShaMingSong Synonym
Smichion 10FL Synonym
Sumithion 10FL Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	277.24 g/mol	CAS Common Chemistry
	277.238 g/mol	RDKit
	277.231 g/mol	chempirical lib
Density	1.32 g/cm³	CAS Common Chemistry
	1.3227 g/cm3 @ 25 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Fenitrothion	CAS Common Chemistry
Canonical SMILES	O=N(=O)C1=CC=C(OP(=S)(OC)OC)C=C1C	CAS Common Chemistry
InChI	InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3	CAS Common Chemistry
InChI Key	InChIKey=ZNOLGFHPUIJIMJ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	3.4 °C	CAS Common Chemistry
Name	Fenitrothion	CAS Common Chemistry
Heavy Atom Count	17	RDKit
Hydrogen Bond Acceptors	6	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	5	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	70.83 Å²	RDKit
LogP	2.7993200000000007	RDKit
	2.7993	RDKit
Molar Refractivity	66.76440000000001 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.3333	RDKit
	0.33	chempirical lib
Exact Mass	277.017380114 g/mol	RDKit
Boiling Point	118 °C @ 0.05 Torr	CAS Common Chemistry

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

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MW = 277.24 g/mol; density = 1.320 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)