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| CAS No.: | 723294-74-4 |
|---|---|
| Name: | 3-FLUORO-5-IODOBENZOIC ACID |
| Molecular Structure: | |
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| Formula: | C7H4 F I O2 |
| Molecular Weight: | 266.01 |
| Synonyms: | 5-FLUORO-3-IODOBENZOIC ACID;3-FLUORO-5-IODOBENZOIC ACID;RARECHEM AL BO 1036 |
| Density: | 2.074 g/cm3 |
| Boiling Point: | 329.8 °C at 760 mmHg |
| Flash Point: | 153.2 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 37.30000 |
| LogP: | 2.12850 |
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- Total:24 Page 1 of 1 1
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Specification
This chemical is called Benzoicacid, 3-fluoro-5-iodo-, and its systematic name is 3-fluoro-5-iodobenzoic acid. With the molecular formula of C7H4FIO2, its molecular weight is 266.01. The CAS registry number of this chemical is 723294-74-4. Additionally, its product categories are Benzoic Acid; Acids & Esters; Fluorine Compounds; Iodine Compounds.
Other characteristics of the Benzoicacid, 3-fluoro-5-iodo- can be summarised as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 2.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.88; (8)ACD/KOC (pH 7.4): 1.38; (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: 153.2 °C; (20)Enthalpy of Vaporization: 60.41 kJ/mol; (21)Boiling Point: 329.8 °C at 760 mmHg; (22)Vapour Pressure: 6.98E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(C(=O)O)cc(I)c1
2.InChI: InChI=1/C7H4FIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
3.InChIKey: GYWJTQMNTRDRNA-UHFFFAOYAD