dimethyl chloro(sulfanylidene)phosphonite

• ChemBase ID: 123276
• Molecular Formular: C2H6ClO2PS
• Molecular Mass: 160.559601
• Monoisotopic Mass: 159.95146474
• SMILES: P(=S)(Cl)(OC)OC
• Canonical SMILES: COP(=S)(OC)Cl
• InChI: InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3
• InChIKey: XFBJRFNXPUCPKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl chloro(sulfanylidene)phosphonite
• IUPAC Traditional name: dimethyl chloro(sulfanylidene)phosphonite
• Synonyms: O,O-dimethyl phosphorochloridothioate; Dimethyl phosphorochloridothionate; Dimethyl chlorothiophosphate; 氯硫代磷酸二甲酯; 二甲基硫代磷酰氯

Database IDs

• CAS Number: 2524-03-0
• EC Number: 219-754-9
• MDL Number: MFCD00008353
• PubChem SID: 162217629; 24893472
• PubChem CID: 17304

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3910835
• LogD (pH = 7.4): 1.3910835
• Log P: 1.3910835
• Molar Refractivity: 35.1791 cm^3
• Polarizability: 14.438358 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 66-67 °C/16 mmHg(lit.)
• Flash Point: 105 °C; 221 °F
• Density: 1.322 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.482(lit.)
• Vapor Pressure: 0.67 psi ( 20 °C)

Safety Information

• RTECS: TD1830000
• European Hazard Symbols: Toxic (T)
• UN Number: 2267
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25-34
• Safety Statements: 23-26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2267 6.1/PG 2

Product Information

• Purity: 97%
• Linear Formula: (CH3O)2P(S)Cl

DETAILS

Sigma Aldrich - D152951

Packaging
100 g in glass bottle