CAS No.52548-63-7,5-Fluoro-2-iodobenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52548-63-7
Name:	5-Fluoro-2-iodobenzoic acid
Article Data:	13

Formula:	C₇H₄FIO₂
Molecular Weight:	266.01
Synonyms:	2-Iodo-5-fluorobenzoicacid;benzoic acid, 5-fluoro-2-iodo-;
Density:	2.074 g/cm³
Melting Point:	145-149 °C
Boiling Point:	307.896 °C at 760 mmHg
Flash Point:	140.01 °C
Hazard Symbols:	T
Risk Codes:	25-36/37/38
Safety:	26-45
Transport Information:	UN 2811
PSA:	37.30000
LogP:	2.12850

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Specification

The 5-Fluoro-2-iodobenzoic acid, with the CAS registry number 52548-63-7, is also called 2-Iodo-5-fluorobenzoic acid. It belongs to the following product categories: API intermediates; C7; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of this chemical is C₇H₄FIO₂.

The physical properties of 5-Fluoro-2-iodobenzoic acid are as following: (1)ACD/LogP: 2.79; (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: 1.638; (12)Molar Refractivity: 46.083 cm³; (13)Molar Volume: 128.245 cm³; (14)Polarizability: 18.269×10^-24cm³; (15)Surface Tension: 56.842 dyne/cm; (16)Density: 2.074 g/cm³; (17)Flash Point: 140.01 °C; (18)Enthalpy of Vaporization: 57.918 kJ/mol; (19)Boiling Point: 307.896 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also toxic if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(F)ccc1I
(2)InChI: InChI=1/C7H4FIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: XPFMQYOPTHMSJJ-UHFFFAOYAV