CAS No.110706-50-8,DIMETHY-4-FLUOROPHTHALATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	110706-50-8
Name:	DIMETHY-4-FLUOROPHTHALATE
Article Data:	4

Formula:	C₁₀H₉FO₄
Molecular Weight:	212.17
Synonyms:	1,2-Benzenedicarboxylicacid, 4-fluoro-, dimethyl ester (9CI);Dimethyl 4-fluorophthalate;
Density:	1.252 g/cm³
Boiling Point:	251.994 °C at 760 mmHg
Flash Point:	103.127 °C
Appearance:	slight yellow liquid
PSA:	52.60000
LogP:	1.39890

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Specification

This chemical is called 1,2-Benzenedicarboxylicacid, 4-fluoro-, 1,2-dimethyl ester, and its systematic name is dimethyl 4-fluorobenzene-1,2-dicarboxylate. With the molecular formula of C₁₀H₉FO₄, its molecular weight is 212.17. The CAS registry number of this chemical is 110706-50-8. Additionally, its product category is Benzoic Acid.

Other characteristics of the 1,2-Benzenedicarboxylicacid, 4-fluoro-, 1,2-dimethyl ester can be summarised as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 264; (8)ACD/KOC (pH 7.4): 264; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 49.793 cm³; (15)Molar Volume: 169.429 cm³; (16)Polarizability: 19.74×10^-24cm³; (17)Surface Tension: 39.257 dyne/cm; (18)Density: 1.252 g/cm³; (19)Flash Point: 103.127 °C; (20)Enthalpy of Vaporization: 48.933 kJ/mol; (21)Boiling Point: 251.994 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1ccc(F)cc1C(=O)OC
2.InChI: InChI=1/C10H9FO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3
3.InChIKey: UPXQAPWOMHKSBU-UHFFFAOYAY