2-(Trifluoromethyl)benzoic acid - CAS 433-97-6
Catalog: |
BB025403 |
Product Name: |
2-(Trifluoromethyl)benzoic acid |
CAS: |
433-97-6 |
Synonyms: |
2-(trifluoromethyl)benzoic acid |
IUPAC Name: | 2-(trifluoromethyl)benzoic acid |
Description: | 2-(Trifluoromethyl)benzoic acid (CAS# 433-97-6) is used in biochemical genetics studies such as Plasmid-encoded phthalate catabolic pathway in Arthrobacter keyseri 12B. |
Molecular Weight: | 190.12 |
Molecular Formula: | C8H5F3O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) |
InChI Key: | FBRJYBGLCHWYOE-UHFFFAOYSA-N |
Boiling Point: | 248 ℃ |
Melting Point: | 110-112 ℃ |
Purity: | 95 % |
Appearance: | White crystals |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002476 |
LogP: | 2.40360 |
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 |
CN-112979539-A | Synthesis method of fluopyram intermediate | 20210517 |
CN-112979539-B | Synthesis method of fluopyram intermediate | 20210517 |
CN-113004241-A | 11, 20-dicarbonyl economic oridonin 14-O-benzoic acid esterified derivative and preparation method and application thereof | 20210305 |
CN-112979978-A | Ultramicropore hydrophobic UiO-66 zirconium metal organic framework material and preparation method and application thereof | 20210222 |
WO-2021170886-A2 | Electronic device | 20200806 |
PMID | Publication Date | Title | Journal |
21754181 | 20110401 | 2-(Trifluoro-meth-yl)benzoic acid | Acta crystallographica. Section E, Structure reports online |
20706796 | 20110101 | Structure-activity relationships and the cytotoxic effects of novel diterpenoid alkaloid derivatives against A549 human lung carcinoma cells | Journal of natural medicines |
20648015 | 20100810 | Detection of lung, breast, colorectal, and prostate cancers from exhaled breath using a single array of nanosensors | British journal of cancer |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.02416388 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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