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| CAS No.: | 57443-18-2 |
|---|---|
| Name: | BENZYL DIMETHYL PHOSPHONOACETATE |
| Article Data: | 3 |
| Molecular Structure: | |
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|
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| Formula: | C11H15O5P |
| Molecular Weight: | 258.211 |
| Synonyms: | Aceticacid, (dimethoxyphosphinyl)-, phenylmethyl ester (9CI);Benzyl dimethylphosphonoacetate;[(Oxo)dimethoxyphosphino]acetic acid benzyl ester; |
| Density: | 1.217 g/cm3 |
| Boiling Point: | 359.4 °C at 760 mmHg |
| Flash Point: | 184.8 °C |
| Appearance: | clear colorless to light brown liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 71.64000 |
| LogP: | 2.21570 |
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Specification
The CAS register number of Acetic acid,2-(dimethoxyphosphinyl)-, phenylmethyl ester is 57443-18-2. It also can be called as Benzyl (dimethoxyphosphoryl)acetate and the IUPAC name about this chemical is benzyl 2-dimethoxyphosphorylacetate. The molecular formula about this chemical is C11H15O5P and the molecular weight is 258.21.
Physical properties about Acetic acid,2-(dimethoxyphosphinyl)-, phenylmethyl ester are: (1)ACD/LogP: 1.17; (2)ACD/LogD (pH 5.5): 1.17; (3)ACD/LogD (pH 7.4): 1.17; (4)ACD/BCF (pH 5.5): 4.57; (5)ACD/BCF (pH 7.4): 4.57; (6)ACD/KOC (pH 5.5): 103.33; (7)ACD/KOC (pH 7.4): 103.33; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 71.64Å2; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 61.83 cm3; (13)Molar Volume: 212.1 cm3; (14)Polarizability: 24.51x10-24cm3; (15)Surface Tension: 41.8 dyne/cm; (16)Enthalpy of Vaporization: 60.5 kJ/mol; (17)Boiling Point: 359.4 °C at 760 mmHg; (18)Vapour Pressure: 2.38E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OC)(OC)CC(=O)OCc1ccccc1
(2)InChI: InChI=1/C11H15O5P/c1-14-17(13,15-2)9-11(12)16-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
(3)InChIKey: QYLGNJMIOVHLQQ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H15O5P/c1-14-17(13,15-2)9-11(12)16-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
(5)Std. InChIKey: QYLGNJMIOVHLQQ-UHFFFAOYSA-N