2'-(Trifluoromethyl)biphenyl-4-carboxylic Acid - CAS 198205-79-7
Catalog: |
BB015322 |
Product Name: |
2'-(Trifluoromethyl)biphenyl-4-carboxylic Acid |
CAS: |
198205-79-7 |
Synonyms: |
4-[2-(trifluoromethyl)phenyl]benzoic acid; 4-[2-(trifluoromethyl)phenyl]benzoic acid |
IUPAC Name: | 4-[2-(trifluoromethyl)phenyl]benzoic acid |
Description: | 2'-(Trifluoromethyl)biphenyl-4-carboxylic Acid (CAS# 198205-79-7) is a useful research chemical. |
Molecular Weight: | 266.22 |
Molecular Formula: | C14H9F3O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C14H9F3O2/c15-14(16,17)12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(18)19/h1-8H,(H,18,19) |
InChI Key: | WQKDEUGMDSTMAK-UHFFFAOYSA-N |
Boiling Point: | 380.8 °C at 760 mmHg |
Density: | 1.326 g/cm3 |
MDL: | MFCD03424605 |
LogP: | 4.07060 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3344621-A1 | Sulfonamide compounds as voltage-gated sodium channel modulators | 20150904 |
WO-2017037682-A1 | Sulfonamide compounds as voltage-gated sodium channel modulators | 20150904 |
AU-2014356460-A1 | Compounds, pharmaceutical composition and methods for use in treating inflammatory diseases | 20131127 |
EA-032271-B1 | SUBSTANCES, PHARMACEUTICAL COMPOSITION AND METHODS OF APPLICATION IN THE TREATMENT OF INFLAMMATORY DISEASES | 20131127 |
EP-3074008-A1 | Compounds, pharmaceutical composition and methods for use in treating inflammatory diseases | 20131127 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.05546401 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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