diethyl chlorophosphonate

• ChemBase ID: 104912
• Molecular Formular: C4H10ClO3P
• Molecular Mass: 172.547161
• Monoisotopic Mass: 172.00560849
• SMILES: CCOP(=O)(Cl)OCC
• Canonical SMILES: CCOP(=O)(OCC)Cl
• InChI: InChI=1S/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
• InChIKey: LGTLXDJOAJDFLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl chlorophosphonate
• IUPAC Traditional name: diethyl chlorophosphonate
• Synonyms: DIETHYLCHLOROPHOSPHATE; diethylchlorophosphate; Diethoxyphosphorus oxychloride; Diethyl chlorophosphonate; Diethyl phosphorochloride; Diethoxyphosphoryl chloride; O,O-Diethyl chlorophosphate; Diethyl phosphorochloridate; DIETHYL CHLOROPHOSPHATE; Diethyl chlorophosphate; Phosphorochloridic Acid Diethyl Ester; Ethyl Phosphorochloridate; Chlorodiethoxyphosphine Oxide; Chlorodiethylphosphate; Diethyl Phosphoric Chloride; Phosphoric Acid Diethyl Ester Chloride; 氯膦酸二乙基酯; 氯磷酸二乙酯

Database IDs

• CAS Number: 814-49-3
• EC Number: 212-369-4; 212-396-4
• MDL Number: MFCD00009075
• Beilstein Number: 471433
• PubChem SID: 24859280; 24894267; 162092231
• PubChem CID: 13139
• Chemspider ID: 12587
• Wikipedia Title: Diethyl_chlorophosphate

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2148298
• LogD (pH = 7.4): 1.2148298
• Log P: 1.2148298
• Molar Refractivity: 36.6854 cm^3
• Polarizability: 14.843329 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Colourless to Pale Yellow Liquid
• Boiling Point: 60 °C/2 mmHg(lit.); 60°C; 60°C @ 2mm; 60°C/2mm
• Flash Point: 199.4 °F; 61.1°C; 61°C(142°F); 93 °C
• Density: 1.194; 1.194 g/ml; 1.194 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.416(lit.)
• Vapor Pressure: 0.1 mmHg ( 25 °C)
• Vapor Density: 5.94 (vs air)

Safety Information

• Storage Condition: 2-8°C; Hygroscopic, Refrigerator, Under Inert Atmosphere
• Storage Warning: Moisture Sensitive
• RTECS: TD1400000
• European Hazard Symbols: Corrosive (C); Highly toxic (T+)
• UN Number: 2927; 3278; UN3278
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 1; I; II
• Australian Hazchem: 2XE
• Risk Statements: 23-27/28; 26/27/28; R:27/28-34
• Safety Statements: 26-36/37/39-45; 28-36/37/39-45; 9-23-27/28-36/37/39-45-60; S:27/28-29-36/37/39-45
• EU Classification: TC1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300 + H310-H331; H300 +H310 + H330; H300-H310-H330-H227
• GHS Precautionary statements: P210-P301+P310-P304+P340-P320-P330-P361-P405-P501A; P260-P264-P280-P284-P301 + P310-P302 + P350; P261-P264-P280-P301 + P310-P302 + P350-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3278 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: >97.0% (T); 97%; 97+%
• Grade: purum
• Linear Formula: (C2H5O)2P(O)Cl

DETAILS

MP Biomedicals - 02157684

1 ml = approx. 1.19 g

MP Biomedicals - 05209957

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D91632

Packaging
25, 100 g in glass bottle