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| CAS No.: | 182955-12-0 |
|---|---|
| Name: | BETA-(4-CHLOROPHENYL)GLUTARIC ANHYDRIDE |
| Molecular Structure: | |
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| Formula: | C11H9ClO3 |
| Molecular Weight: | 224.64 |
| Synonyms: | 4-(4-CHLORO-PHENYL)-DIHYDRO-PYRAN-2,6-DIONE;3-(4-CHLOROPHENYL)GLUTARIC ANHYDRIDE;B-(4-CHLOROPHENYL) GLUTARIC ANHYDRIDE;BETA-(4-CHLOROPHENYL)GLUTARIC ANHYDRIDE;SS-(4-CHLOROPHENYL) GLUTARIC ANHYDRIDE |
| EINECS: | 258-858-9 |
| Density: | 1.348 g/cm3 |
| Boiling Point: | 393.2 °C at 760 mmHg |
| Flash Point: | 176 °C |
| PSA: | 43.37000 |
| LogP: | 2.28720 |
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Specification
The 2H-Pyran-2,6(3H)-dione,4-chlorodihydro-4-phenyl-, with the CAS registry number 182955-12-0, is also known as β-(4-Chlorophenyl)glutaricanhydride. This chemical's molecular formula is C11H9ClO3 and molecular weight is 224.6404. Its systematic name is called 4-(4-chlorophenyl)dihydro-2H-pyran-2,6(3H)-dione.
Physical properties of 2H-Pyran-2,6(3H)-dione,4-chlorodihydro-4-phenyl-: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 6.06; (5)ACD/BCF (pH 7.4): 6.06; (6)ACD/KOC (pH 5.5): 126.41; (7)ACD/KOC (pH 7.4): 126.41; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.564; (11)Molar Refractivity: 54.26 cm3; (12)Molar Volume: 166.6 cm3; (13)Surface Tension: 48.7 dyne/cm; (14)Density: 1.348 g/cm3; (15)Flash Point: 176 °C; (16)Enthalpy of Vaporization: 64.3 kJ/mol; (17)Boiling Point: 393.2 °C at 760 mmHg; (18)Vapour Pressure: 2.17E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(=O)CC(c1ccc(Cl)cc1)C2
(2)InChI: InChI=1/C11H9ClO3/c12-9-3-1-7(2-4-9)8-5-10(13)15-11(14)6-8/h1-4,8H,5-6H2
(3)InChIKey: OCZRLOJECISNAO-UHFFFAOYAG