4-(dimethylsulfamoyl)phenyl methyl methoxy(sulfanylidene)phosphonite

• ChemBase ID: 156798
• Molecular Formular: C10H16NO5PS2
• Molecular Mass: 325.341501
• Monoisotopic Mass: 325.02075125
• SMILES: CN(C)S(=O)(=O)c1ccc(cc1)OP(=S)(OC)OC
• Canonical SMILES: COP(=S)(Oc1ccc(cc1)S(=O)(=O)N(C)C)OC
• InChI: InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3
• InChIKey: JISACBWYRJHSMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethylsulfamoyl)phenyl methyl methoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: famphur
• Synonyms: O-(4-Dimethylsulfamoylphenyl)-O,O-dimethyl-phosphorothioate; Famphur; O-(4-二甲基氨磺酰苯基)-O,O-二甲基-硫代磷酸酯; 氨磺磷

Database IDs

• CAS Number: 52-85-7
• EC Number: 200-154-0
• MDL Number: MFCD00055307
• Beilstein Number: 2224254
• PubChem SID: 162250935
• PubChem CID: 5859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7149893
• LogD (pH = 7.4): 1.7149893
• Log P: 1.7149893
• Molar Refractivity: 77.8186 cm^3
• Polarizability: 31.785986 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F

Safety Information

• RTECS: TF7650000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 24/25-36/38
• Safety Statements: 22-24/25-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H312-H315-H319
• GHS Precautionary statements: P264-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Empirical Formula (Hill Notation): C10H16NO5PS2

DETAILS

Sigma Aldrich - 34341

Legal Information
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