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Carboxyfenitrothion
[CAS# 54812-31-6]

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CAS#: 54812-31-6
Product: Carboxyfenitrothion
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Identification
Name Carboxyfenitrothion
Synonyms 5-Dimethoxyphosphinothioyloxy-2-Nitro-Benzoic Acid; 5-Dimethoxythiophosphoryloxy-2-Nitro-Benzoic Acid; 5-((Dimethoxyphosphinothioyl)Oxy)-2-Nitrobenzoic Acid
Molecular Structure CAS#: 54812-31-6, Carboxyfenitrothion
Molecular Formula C9H10NO7PS
Molecular Weight 307.21
CAS Registry Number 54812-31-6
SMILES C1=C(O[P](=S)(OC)OC)C=CC(=C1C(=O)O)[N+]([O-])=O
InChI 1S/C9H10NO7PS/c1-15-18(19,16-2)17-6-3-4-8(10(13)14)7(5-6)9(11)12/h3-5H,1-2H3,(H,11,12)
InChIKey VQQKSYZYVZFNSY-UHFFFAOYSA-N
Properties
Density 1.543g/cm3 (Cal.)
Boiling point 437.097°C at 760 mmHg (Cal.)
Flash point 218.149°C (Cal.)
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