CAS No.53911-68-5,BETA-(4-CHLOROPHENYL)GLUTARIC ANHYDRIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53911-68-5
Name:	BETA-(4-CHLOROPHENYL)GLUTARIC ANHYDRIDE
Article Data:	13

Formula:	C₁₁H₉ClO₃
Molecular Weight:	224.644
Synonyms:	b-(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
Appearance:	white solid
PSA:	43.37000
LogP:	2.28720

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Specification

The 2H-Pyran-2,6(3H)-dione,4-(4-chlorophenyl)dihydro-, with the CAS registry number 53911-68-5, is also known as b-(4-Chlorophenyl) glutaric anhydride. It belongs to the product categories of Heterocyclic Compounds; Aromatics Compounds; Aromatics; Heterocycles. Its EINECS registry number is 258-858-9. This chemical's molecular formula is C₁₁H₉ClO₃ and molecular weight is 224.6404. What's more, both its IUPAC name and systematic name are the same which is called 4-(4-Chlorophenyl)dihydro-2H-pyran-2,6(3H)-dione. Its appearance is white solid.

Physical properties about 2H-Pyran-2,6(3H)-dione,4-(4-chlorophenyl)dihydro- are: (1)ACD/LogP: 1.33; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6.06; (6)ACD/BCF (pH 7.4): 6.06; (7)ACD/KOC (pH 5.5): 126.41; (8)ACD/KOC (pH 7.4): 126.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 54.26 cm³; (15)Molar Volume: 166.6 cm³; (16)Surface Tension: 48.7 dyne/cm; (17)Density: 1.348 g/cm³; (18)Flash Point: 176 °C; (19)Enthalpy of Vaporization: 64.3 kJ/mol; (20)Boiling Point: 393.2 °C at 760 mmHg; (21)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