CAS No.111771-08-5,2-FLUORO-6-IODOBENZOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	111771-08-5
Name:	2-FLUORO-6-IODOBENZOIC ACID
Article Data:	5

Formula:	C₇H₄FIO₂
Molecular Weight:	266.01
Synonyms:	2-Fluoro-6-iodobenzoicacid;
Density:	2.074 g/cm³
Melting Point:	123-126 °C(lit.)
Boiling Point:	301.556 °C at 760 mmHg
Flash Point:	136.176 °C
Appearance:	yellow to light brown powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	37.30000
LogP:	2.12850

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Specification

The Benzoic acid,2-fluoro-6-iodo-, with its CAS registry number 111771-08-5, has the systematic name of 2-fluoro-6-iodobenzoic acid. And it has the molecular formula of C₇H₄FIO₂ and the molecular weight of 266.01. Besides, for being a kind of yellow to light brown powder, this is sensitive to light and it belongs to the product categories which include C7; Carbonyl Compounds; Carboxylic Acids. Being stable in normal temperature and pressure, it should be kept in sealed in the cool and well-ventilated place, away from the strong oxidizer. When comes to its usage, it is often used as the chemical reagent.

The characteristics of Benzoic acid,2-fluoro-6-iodo- are as follows: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.88; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 46.08 cm³; (15)Molar Volume: 128.2 cm³; (16)Polarizability: 18.26×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 2.074 g/cm³; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 57.2 kJ/mol; (21)Boiling Point: 301.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000463 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(O)c1c(F)cccc1I
(2)InChI:InChI=1/C7H4FIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
(3)InChIKey:CYCXAPWOBWWNRK-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C7H4FIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
(5)Std. InChIKey:CYCXAPWOBWWNRK-UHFFFAOYSA-N