3,5-Bis(trifluoromethyl)benzoic acid - CAS 725-89-3
Catalog: |
BB034656 |
Product Name: |
3,5-Bis(trifluoromethyl)benzoic acid |
CAS: |
725-89-3 |
Synonyms: |
3,5-bis(trifluoromethyl)benzoic acid |
IUPAC Name: | 3,5-bis(trifluoromethyl)benzoic acid |
Description: | 3,5-Bis(trifluoromethyl)benzoic acid (CAS# 725-89-3) is a useful research chemical. |
Molecular Weight: | 258.12 |
Molecular Formula: | C9H4F6O2 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17) |
InChI Key: | HVFQJWGYVXKLTE-UHFFFAOYSA-N |
Boiling Point: | 260 °C |
Purity: | 98 % |
Density: | 1.42 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00000388 |
LogP: | 3.42240 |
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 |
CN-113214045-A | Preparation process of high-purity 3, 5-bis (trifluoromethyl) benzyl alcohol | 20210427 |
CN-112110989-A | Polypeptide molecular probe for in vivo detection of thrombin and preparation method thereof | 20200828 |
WO-2021170886-A2 | Electronic device | 20200806 |
CN-111876227-A | Layered liquid crystal lubricant with cleaning and anti-creeping performances and preparation method thereof | 20200805 |
WO-2021201196-A1 | Film-forming composition | 20200331 |
PMID | Publication Date | Title | Journal |
12162856 | 20020701 | Application of (1)H- and (19)F-NMR spectroscopy in the investigation of the urinary and biliary excretion of 3,5-, 2,4-ditrifluoromethylbenzoic and pentafluorobenzoic acids in rat | Xenobiotica; the fate of foreign compounds in biological systems |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.01154834 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.01154834 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS