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| CAS No.: | 350488-79-8 |
|---|---|
| Name: | 4-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid |
| Molecular Structure: | |
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| Formula: | C8H3ClF3NO4 |
| Molecular Weight: | 268.97 |
| Synonyms: | 4-chloro-5-nitro -3-trifluoroMethyl benzoic acid |
| Density: | 1.693 g/cm3 |
| Boiling Point: | 349.035 °C at 760 mmHg |
| Flash Point: | 164.891 °C |
| PSA: | 83.12000 |
| LogP: | 3.48840 |
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Specification
The CAS registry number of 4-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid is 350488-79-8. This chemical's molecular formula is C8H3ClF3NO4 and molecular weight is 268.97. What's more, its IUPAC name is the same with its product name.
Physical properties about 4-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.12 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 49.603 cm3; (15)Molar Volume: 159.266 cm3; (16)Surface Tension: 47.43 dyne/cm; (17)Density: 1.693 g/cm3; (18)Flash Point: 164.891 °C; (19)Enthalpy of Vaporization: 62.631 kJ/mol; (20)Boiling Point: 349.035 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(cc(N(=O)=O)c1Cl)C(O)=O
(2) InChI: InChI=1S/C8H3ClF3NO4/c9-6-4(8(10,11)12)1-3(7(14)15)2-5(6)13(16)17/h1-2H,(H,14,15)
(3) InChIKey: QMHLEMNSBVDXQD-UHFFFAOYSA-N