4-[3-(Trifluoromethyl)phenyl]benzoic Acid - CAS 195457-70-6
Catalog: |
BB015130 |
Product Name: |
4-[3-(Trifluoromethyl)phenyl]benzoic Acid |
CAS: |
195457-70-6 |
Synonyms: |
4-[3-(trifluoromethyl)phenyl]benzoic acid; 4-[3-(trifluoromethyl)phenyl]benzoic acid |
IUPAC Name: | 4-[3-(trifluoromethyl)phenyl]benzoic acid |
Description: | 4-[3-(Trifluoromethyl)phenyl]benzoic Acid (CAS# 195457-70-6) is a reagent used in the synthesis of aryl-substituted aspartic acid and diaminopropionic acid derivatives as inhibitors of glutamate transporter EAAT-2 (Excitatory amino acid transporters 2). |
Molecular Weight: | 266.22 |
Molecular Formula: | C14H9F3O2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C14H9F3O2/c15-14(16,17)12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(18)19/h1-8H,(H,18,19) |
InChI Key: | LFMPHDUPXVEMAB-UHFFFAOYSA-N |
Boiling Point: | 375.7 °C at 760 mmHg |
Density: | 1.326 g/cm3 |
MDL: | MFCD03424607 |
LogP: | 4.07060 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020128816-A2 | Pharmaceutical compositions and methods comprising a combination of a benzoxazole transthyretin stabilizer and an additional therapeutic agent | 20181220 |
TW-201922728-A | Novel heterocyclic compounds | 20171010 |
US-2020299277-A1 | Piperazine derivatives as magl inhibitors | 20171010 |
EP-3694840-B1 | Piperazine derivatives as magl inhibitors | 20171010 |
KR-101569341-B1 | 4-(Arylureido)pyrrolidine derivatives inhibiting beta-secretase's activity and pharmaceutical composition containing the same as an active ingredient | 20131227 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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