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1083168-69-7 structure

CAS No.:1083168-69-7
Molecular Weight:150.1745
Molecular Formula:C9H8CL3NO (isomer)
Names and Identifiers
Synonyms

Properties
Boiling Point
485.9°C at 760 mmHg
Other physical and chemical properties
Liquid
Safety and Handling
Specification

The (5-Ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate P-oxide with its cas register number is 41203-81-0. It also can be called as   Methylphosphonic acid (5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl methyl ester and the IUPAC Name about this chemical is 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Physical properties about (5-Ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate P-oxide are: (1)ACD/LogP: -0.51; (2)ACD/LogD (pH 5.5): -0.51; (3)ACD/LogD (pH 7.4): -0.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.62; (7)ACD/KOC (pH 7.4): 12.62; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 90.68Å2; (11)Index of Refraction: 1.439; (12)Molar Refractivity: 62.12 cm3; (13)Molar Volume: 236.1 cm3; (14)Polarizability: 24.62x10-24cm3; (15)Surface Tension: 36.7 dyne/cm; (16)Enthalpy of Vaporization: 59.17 kJ/mol; (17)Vapour Pressure: 2.58E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1(COP(=O)(OC1)C)COP(=O)(C)OC
(2)InChI: InChI=1S/C9H20O6P2/c1-5-9(6-13-16(3,10)12-2)7-14-17(4,11)15-8-9/h5-8H2,1-4H3
(3)InChIKey: CFIFBLCPLCPITL-UHFFFAOYSA-N

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

 
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