3-Pyridinesulfonicacid, 2-[[3-(trifluoromethyl)phenyl]amino]- supplier

Name
2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]-PYRIDINE-3-SULFONIC ACID
EINECS
CAS No. 38025-91-1
Density 1.552 g/cm³
Solubility
Melting Point
Formula C₁₂H₉F₃N₂O₃S
Boiling Point
Molecular Weight 318.276
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[3-(trifluoromethyl)anilino]-3-pyridinesulfonic acid;2-{[3-(Trifluoromethyl)phenyl]amino}pyridine-3-sulfonic acid;2-[[3-(Trifluoromethyl)phenyl]amino]-pyridine-3-sulfonic acid;
PSA 87.67000
LogP 4.24450

3-Pyridinesulfonicacid, 2-[[3-(trifluoromethyl)phenyl]amino]- Specification

The 3-Pyridinesulfonicacid, 2-[[3-(trifluoromethyl)phenyl]amino]-, with the CAS registry number 38025-91-1, is also known as 2-[3-(trifluoromethyl)anilino]-3-pyridinesulfonic acid. This chemical's molecular formula is C₁₂H₉F₃N₂O₃S and molecular weight is 318.27. What's more, its systematic name is 2-{[3-(trifluoromethyl)phenyl]amino}pyridinium-3-sulfonate.

Physical properties of 3-Pyridinesulfonicacid, 2-[[3-(trifluoromethyl)phenyl]amino]- are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.87 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 68.24 cm³; (15)Molar Volume: 204.9 cm³; (16)Polarizability: 27.05×10^-24 cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.552 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(F)c1cc(ccc1)Nc2[nH+]cccc2S([O-])(=O)=O
(2)InChI: InChI=1/C12H9F3N2O3S/c13-12(14,15)8-3-1-4-9(7-8)17-11-10(21(18,19)20)5-2-6-16-11/h1-7H,(H,16,17)(H,18,19,20)
(3)InChIKey: DSGDBCPTSMQPDY-UHFFFAOYAI

Product Name

2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]-PYRIDINE-3-SULFONIC ACID

3-Pyridinesulfonicacid, 2-[[3-(trifluoromethyl)phenyl]amino]- Specification

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