2,3,4,5-Tetrafluorobenzoic acid - CAS 1201-31-6
Catalog: |
BB004723 |
Product Name: |
2,3,4,5-Tetrafluorobenzoic acid |
CAS: |
1201-31-6 |
Synonyms: |
2,3,4,5-tetrafluorobenzoic acid |
IUPAC Name: | 2,3,4,5-tetrafluorobenzoic acid |
Description: | 2,3,4,5-Tetrafluorobenzoic acid (CAS# 1201-31-6) is used in the synthesis of diterpenoid analogs as antitumor compounds. Also used in the synthesis of novel quinoline lactones. |
Molecular Weight: | 194.08 |
Molecular Formula: | C7H2F4O2 |
Canonical SMILES: | C1=C(C(=C(C(=C1F)F)F)F)C(=O)O |
InChI: | InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13) |
InChI Key: | SFKRXQKJTIYUAG-UHFFFAOYSA-N |
Boiling Point: | 239.2 ℃ at 760 mmHg |
Melting Point: | 85-88ºC |
Flash Point: | 98.5ºC |
Density: | 1.633 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00009613 |
LogP: | 1.94120 |
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-112409169-A | Method for preparing polyfluorinated aromatic hydrocarbon | 20201201 |
WO-2021170886-A2 | Electronic device | 20200806 |
CN-113117096-A | NCAM mimic peptide modified pH sensitive gene bionic delivery system and application thereof | 20191230 |
CN-110804064-A | Synthetic method of levofloxacin carboxylic acid | 20191213 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
PMID | Publication Date | Title | Journal |
21377505 | 20110601 | The effects of oral treatment with transfluthrin on the urothelium of rats and its metabolite, tetrafluorobenzoic acid on urothelial cells in vitro | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
21135952 | 20110121 | Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands | Dalton transactions (Cambridge, England : 2003) |
20845925 | 20101018 | Optimized synthesis of tetrafluoroterephthalic acid: a versatile linking ligand for the construction of new coordination polymers and metal-organic frameworks | Inorganic chemistry |
21583578 | 20090718 | 2,3,4,5-Tetra-fluoro-benzoic acid-4,4'-bipyridine (2/1) | Acta crystallographica. Section E, Structure reports online |
18068979 | 20080201 | Novel ofloxacin derivatives: synthesis, antimycobacterial and toxicological evaluation | Bioorganic & medicinal chemistry letters |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.99909195 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.99909195 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Fluorinated Building Blocks
-
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
-
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
-
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
-
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
-
[452-76-6]
2,4-Difluorotoluene
-
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
Other Pyrimidines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS