CAS 757-54-0 Dimethyl allylphosphonate (HCID 136570)

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Basic information

CAS: 757-54-0
Standard SMILES: C=CCP(=O)(OC)OC
InChIKey: ZOSQAGGCVFVCNO-UHFFFAOYSA-N
Molecular formula: C5H11O3P
Average molar mass: 150.11 g/mol
Monoisotopic mass: 150.04458121

Names & identifiers

Preferred name: Dimethyl allylphosphonate
IUPAC: 3-dimethoxyphosphorylprop-1-ene
English name: DIMETHYL ALLYLPHOSPHONATE
Molecular formula: C5H11O3P
Molecular weight: 150.11

Names & synonyms

Dimethyl allylphosphonate757-54-0DTXSID30226610RefChem:134220DTXCID60149101ZOSQAGGCVFVCNO-UHFFFAOYSA-N3-dimethoxyphosphorylprop-1-eneMFCD00014951allylphosphonic acid dimethyl esterdimethyl prop-2-en-1-ylphosphonateallyl phosphonic acid dimethyl esterSCHEMBL337514

Show more names

AURORA KA-1465DIMETHYL ALLYLPHOSPHOTEDIMETHYL-(ALLYLPHOSPHONAT)Allylphosphonic acid dimethylDimethylallylphosphonate, 97 %AllylphosphonicaciddimethylesterDimethyl?P-2-propen-1-ylphosphonateDIMETHYL ALLYLPHOSPHONATE: TECH., 85%

AKOS017343611SY461627DB-055987CS-0331137G83722F008035

Database identifiers

CAS: 757-54-0
PubChem CID: 136570
DTXSID: DTXSID30226610
Nikkaji: J79.933E

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 124

Physicochemical properties

Boiling point: 41 · 41-42 °C (0.5 mmHg)
Density: 1.1378 g/cm3 · 1.1378 g/cm3(Temp: 0 °C)
refractive index: 1.436 · 1.436-1.44
Flash point: 41 · 41-42°C/0.5mm
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless
BRN: 1756526 · 1756526
CAS DataBase Reference: 757 · 757-54-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements: 24 · 24/25
HS Code: 29209020 · 29209020