3-Fluoro-4-iodobenzoic acid supplier

Name
3-FLUORO-4-IODOBENZOIC ACID
EINECS
CAS No. 825-98-9
Density 2.074 g/cm³
Solubility
Melting Point
Formula C₇H₄FIO₂
Boiling Point 318.5 °C at 760 mmHg
Molecular Weight 266.01
Flash Point 146.4 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 3-Fluoro-4-iodobenzoicacid;3-fluoro-4-iodobenzoic acid;benzoic acid, 3-fluoro-4-iodo-;
PSA 37.30000
LogP 2.12850

3-Fluoro-4-iodobenzoic acid Specification

The Benzoic acid,3-fluoro-4-iodo-, with the CAS registry number 825-98-9, has the systematic name of 3-fluoro-4-iodobenzoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₄FIO₂.

The characteristics of Benzoic acid,3-fluoro-4-iodo- are as followings: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 2.5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.59; (8)ACD/KOC (pH 7.4): 1.18; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 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: 146.4 °C; (20)Enthalpy of Vaporization: 59.13 kJ/mol; (21)Boiling Point: 318.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00015 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(ccc1I)C(O)=O
(2)InChI: InChI=1/C7H4FIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
(3)InChIKey: KPMBAMKKTJSICO-UHFFFAOYAD

Product Name

3-FLUORO-4-IODOBENZOIC ACID

3-Fluoro-4-iodobenzoic acid Specification

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