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CAS No.: | 314-46-5 |
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Name: | 2-Amino-6-(trifluoromethyl)benzoic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H6F3NO2 |
Molecular Weight: | 205.136 |
Synonyms: | o-Toluicacid, 6-amino-a,a,a-trifluoro- (6CI,8CI);2-Amino-6-trifluoromethylbenzoic acid;6-(Trifluoromethyl)anthranilic acid; |
Density: | 1.489 g/cm3 |
Melting Point: | >202(subl.) |
Boiling Point: | 296.6 °C at 760 mmHg |
Flash Point: | 133.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26-37 |
PSA: | 63.32000 |
LogP: | 2.56700 |
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This chemical is called Benzoic acid, 2-amino-6-(trifluoromethyl)-, and its systematic name is 2-amino-6-(trifluoromethyl)benzoic acid. With the molecular formula of C8H6F3NO2, its molecular weight is 205.13. The CAS registry number of this chemical is 314-46-5. Additionally, its product category is Benzoic acid.
Other characteristics of the Benzoic acid, 2-amino-6-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1.59; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.05; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 42.39 cm3; (15)Molar Volume: 137.7 cm3; (16)Polarizability: 16.8×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.489 g/cm3; (19)Flash Point: 133.2 °C; (20)Enthalpy of Vaporization: 56.64 kJ/mol; (21)Boiling Point: 296.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000641 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c(cccc1N)C(F)(F)F
2.InChI: InChI=1/C8H6F3NO2/c9-8(10,11)4-2-1-3-5(12)6(4)7(13)14/h1-3H,12H2,(H,13,14)
3.InChIKey: XZBQDBWIRHIZGJ-UHFFFAOYAS