CAS No.130137-05-2,4,5-DIFLUORO-2-IODOBENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130137-05-2
Name:	4,5-DIFLUORO-2-IODOBENZOIC ACID

Formula:	C₇H₃F₂IO₂
Molecular Weight:	284.00
Synonyms:	2-Iodo-4,5-difluorobenzoicacid;
Density:	2.144 g/cm³
Boiling Point:	305.739 °C at 760 mmHg
Flash Point:	138.707 °C
PSA:	37.30000
LogP:	2.26760

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Specification

The Benzoic acid,4,5-difluoro-2-iodo-, with CAS registry number 130137-05-2, has the systematic name of 4,5-difluoro-2-iodobenzoic acid. Besides this, it is also called 2-Iodo-4,5-Difluorobenzoic acid. And the chemical formula of this chemical is C₇H₃F₂IO₂.

Physical properties of Benzoic acid,4,5-difluoro-2-iodo-: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.3 Å²; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 46.07 cm³; (13)Molar Volume: 132.4 cm³; (14)Polarizability: 18.26×10^-24cm³; (15)Surface Tension: 54.1 dyne/cm; (16)Density: 2.144 g/cm³; (17)Flash Point: 138.7 °C; (18)Enthalpy of Vaporization: 57.67 kJ/mol; (19)Boiling Point: 305.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000352 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(F)c(F)cc1
(2)InChI: InChI=1/C7H3F2IO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)
(3)InChIKey: NHXDCVFTXJVUGK-UHFFFAOYAH