2,5-dichloro-4-(methylsulfanyl)phenyl ethyl ethoxy(sulfanylidene)phosphonite

• ChemBase ID: 126549
• Molecular Formular: C11H15Cl2O3PS2
• Molecular Mass: 361.244761
• Monoisotopic Mass: 359.95772833
• SMILES: CCOP(=S)(OCC)Oc1cc(c(cc1Cl)SC)Cl
• Canonical SMILES: CCOP(=S)(Oc1cc(Cl)c(cc1Cl)SC)OCC
• InChI: InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3
• InChIKey: JAZJVWLGNLCNDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-4-(methylsulfanyl)phenyl ethyl ethoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: chlorthiophos (main isomer)
• Synonyms: O-(2,5-Dichloro-4-(methylthio)phenyl) O,O-diethyl phosphorothioate (predominant isomer); Chlorthiophos; Celathion; Celamerck S-2957; Caswell No. 310A; Chlorthiophos; O-(2,5-二氯-4-(甲硫基)苯基)-O,O-二乙基硫代磷酸酯（主要的异构体）; 氯甲硫磷

Database IDs

• CAS Number: 60238-56-4
• MDL Number: MFCD00143963
• Beilstein Number: 2006212
• PubChem SID: 24862177; 162220881
• PubChem CID: 30859
• Chemspider ID: 484552
• Wikipedia Title: Chlorthiophos

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.211529
• LogD (pH = 7.4): 5.211529
• Log P: 5.211529
• Molar Refractivity: 87.733 cm^3
• Polarizability: 35.158413 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: TF0185000
• European Hazard Symbols: Highly flammable (F+); Nature polluting (N)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 27/28-50/53
• Safety Statements: 28-36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H400
• GHS Precautionary statements: P264-P273-P280-P301 + P310-P302 + P350-P310
• RID/ADR: UN 2810 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Description: mixture of isomers
• Empirical Formula (Hill Notation): C11H15Cl2O3PS2

DETAILS

Sigma Aldrich - 36126

Legal Information
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