methyl 4-nitrophenyl methoxy(sulfanylidene)phosphonite

• ChemBase ID: 156099
• Molecular Formular: C8H10NO5PS
• Molecular Mass: 263.207461
• Monoisotopic Mass: 263.00173006
• SMILES: COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC
• InChI: InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
• InChIKey: RLBIQVVOMOPOHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-nitrophenyl methoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: α-gro
• Synonyms: Methyl parathion; Parathion-methyl solution; O,O-Dimethyl O-(4-nitrophenyl) phosphorothioate; Parathion-methyl; 甲基对硫磷 溶液; O,O-二甲基 O-(4-硝基苯基)硫代磷酸酯; 甲基对硫磷

Database IDs

• CAS Number: 298-00-0
• EC Number: 206-050-1
• MDL Number: MFCD00041813
• Beilstein Number: 8905814
• PubChem SID: 162250237; 24869347; 24862271; 24872575
• PubChem CID: 4130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6015906
• LogD (pH = 7.4): 2.6015906
• Log P: 2.6015906
• Molar Refractivity: 63.192 cm^3
• Polarizability: 24.713282 Å^3
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -1 °F; -18 °C

Safety Information

• RTECS: TG0175000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Highly toxic (T+); Harmful (Xn)
• UN Number: 1145; 2811
• German water hazard class: 2; 3
• Hazard Class: 3; 6.1
• Packing Group: 1; 2
• Risk Statements: 11-38-50/53-65-67; 5-10-24-26/28-48/22-50/53
• Safety Statements: 28-36/37-45-60-61; 60-61-62
• GHS Pictograms: GHS02; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H300-H311-H330-H373-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1145 3/PG 2; UN 2811 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 ng/μL in cyclohexane
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 500 mg
• Empirical Formula (Hill Notation): C8H10NO5PS

DETAILS

Sigma Aldrich - 36187

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 45891

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH