4'-(Trifluoromethyl)biphenyl-4-carboxylic Acid - CAS 195457-71-7
Catalog: |
BB015131 |
Product Name: |
4'-(Trifluoromethyl)biphenyl-4-carboxylic Acid |
CAS: |
195457-71-7 |
Synonyms: |
4-[4-(trifluoromethyl)phenyl]benzoic acid; 4-[4-(trifluoromethyl)phenyl]benzoic acid |
IUPAC Name: | 4-[4-(trifluoromethyl)phenyl]benzoic acid |
Description: | 4'-(Trifluoromethyl)biphenyl-4-carboxylic Acid (CAS# 195457-71-7) is a reagent used in the synthesis of pharmaceuticals and pharmaceutical intermediates. |
Molecular Weight: | 266.22 |
Molecular Formula: | C14H9F3O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C14H9F3O2/c15-14(16,17)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H,18,19) |
InChI Key: | JXOFQKVEGRNGLD-UHFFFAOYSA-N |
Boiling Point: | 360.8 °C at 760 mmHg |
Density: | 1.326 g/cm3 |
Appearance: | White powder |
MDL: | MFCD03424606 |
LogP: | 4.07060 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021068950-A1 | Amide compound and medical use thereof as sting inhibitor | 20191012 |
WO-2020198478-A1 | Serotonin 5-ht2b inhibitory compounds | 20190328 |
WO-2019158572-A1 | Inhibitors of trpc6 | 20180215 |
CN-111770918-A | Inhibitors of TRPC6 | 20180215 |
EP-3752499-A1 | Inhibitors of trpc6 | 20180215 |
PMID | Publication Date | Title | Journal |
17725339 | 20071004 | Novel ATP-competitive kinesin spindle protein inhibitors | Journal of medicinal chemistry |
Complexity: | 311 |
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: | 4.7 |
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