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| CAS No.: | 237424-17-8 |
|---|---|
| Name: | 2,3-DIFLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID |
| Molecular Structure: | |
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| Formula: | C8H3F5O2 |
| Molecular Weight: | 226.103 |
| Synonyms: | 2,3-DIFLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID;RARECHEM AL BO 0850;4-Carboxy-2,3-difluorobenzotrifluoride;4-Carboxy-2,3-difluorobenzotrifluoride, 4-Carboxy-alpha,alpha,alpha,2,3-pentafluorotoluene |
| Density: | 1.571 g/cm3 |
| Boiling Point: | 241.4 °C at 760 mmHg |
| Flash Point: | 99.8 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 37.30000 |
| LogP: | 2.68180 |
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Specification
The Benzoic acid,2,3-difluoro-4-(trifluoromethyl)-, with the CAS registry number of 237424-17-8, is also known as Rarechem al bo 0850. This chemical's molecular formula is C8H3F5O2 and molecular weight is 226.1. What's more, its systematic name is 2,3-Difluoro-4-(trifluoromethyl)benzoic acid.
Physical properties about the Benzoic acid,2,3-difluoro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.79; (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: 1.443; (14)Molar Refractivity: 38.15 cm3; (15)Molar Volume: 143.8 cm3; (16)Surface Tension: 31.4 dyne/cm; (17)Density: 1.571 g/cm3; (18)Flash Point: 99.8 °C; (19)Enthalpy of Vaporization: 50.55 kJ/mol; (20)Boiling Point: 241.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0194 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:Fc1c(C(=O)O)ccc(c1F)C(F)(F)F
(2) InChI:InChI=1/C8H3F5O2/c9-5-3(7(14)15)1-2-4(6(5)10)8(11,12)13/h1-2H,(H,14,15)
(3) InChIKey:URRNELYPUJPPFT-UHFFFAOYAT