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CAS No.: | 28447-26-9 |
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Name: | DIMETHYL PHTHALIMIDOMETHYLPHOSPHONATE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C11H12NO5P |
Molecular Weight: | 269.194 |
Synonyms: | Phosphonicacid, (phthalimidomethyl)-, dimethyl ester (8CI);Phosphonic acid,[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-, dimethyl ester (9CI);Dimethyl phthalimidomethanephosphonate;Dimethyl phthalimidomethylphosphonate; |
Density: | 1.39 g/cm3 |
Melting Point: | 115-116 °C |
Boiling Point: | 400.7 °C at 760 mmHg |
Flash Point: | 196.1 °C |
Safety: | 22-24/25 |
PSA: | 82.72000 |
LogP: | 1.66390 |
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The CAS register number of Phosphonic acid,P-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-, dimethyl ester is 28447-26-9. It also can be called as Dimethyl phthalimidomethanephosphonate and the IUPAC name about this chemical is 2-(dimethoxyphosphorylmethyl)isoindole-1,3-dione. The molecular formula about this chemical is C11H12NO5P and the molecular weight is 269.19.
Physical properties about Phosphonic acid,P-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-, dimethyl ester are: (1)ACD/LogP: 0.70; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): 0.7; (4)ACD/BCF (pH 5.5): 2.01; (5)ACD/BCF (pH 7.4): 2.01; (6)ACD/KOC (pH 5.5): 57.4; (7)ACD/KOC (pH 7.4): 57.4; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 82.72 Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 61.96 cm3; (13)Molar Volume: 193.5 cm3; (14)Polarizability: 24.56x10-24cm3; (15)Surface Tension: 52.6 dyne/cm; (16)Density: 1.39 g/cm3; (17)Flash Point: 196.1 °C; (18)Enthalpy of Vaporization: 65.16 kJ/mol; (19)Boiling Point: 400.7 °C at 760 mmHg; (20)Vapour Pressure: 1.25E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
If you want to use this chemical, do not breathe dust and avoid contact with skin and eyes. Besides, if you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. If you store and use this chemical according the rule, it will not be decomposed. Please ensure that the workshop is well ventilated or equipped with exhaust device.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OC)(OC)CN2C(=O)c1ccccc1C2=O
(2)InChI: InChI=1/C11H12NO5P/c1-16-18(15,17-2)7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
(3)InChIKey: WDBHXTMUHJGHAN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H12NO5P/c1-16-18(15,17-2)7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
(5)Std. InChIKey: WDBHXTMUHJGHAN-UHFFFAOYSA-N