4-Fluoro-3-(trifluoromethyl)benzoic acid - CAS 67515-55-3
Catalog: |
BB033306 |
Product Name: |
4-Fluoro-3-(trifluoromethyl)benzoic acid |
CAS: |
67515-55-3 |
Synonyms: |
4-fluoro-3-(trifluoromethyl)benzoic acid |
IUPAC Name: | 4-fluoro-3-(trifluoromethyl)benzoic acid |
Description: | 4-Fluoro-3-(trifluoromethyl)benzoic acid (CAS# 67515-55-3) is a useful research chemical. |
Molecular Weight: | 208.11 |
Molecular Formula: | C8H4F4O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)C(F)(F)F)F |
InChI: | InChI=1S/C8H4F4O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14) |
InChI Key: | WZBPZYCJUADXRS-UHFFFAOYSA-N |
Boiling Point: | 256.9 ℃ at 760 mmHg |
Melting Point: | 114-116 ℃ |
Purity: | 98 % |
Density: | 1.489 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00061294 |
LogP: | 2.54270 |
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 |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
US-2021214701-A1 | Modified cleavases, uses thereof and related kits | 20190326 |
JP-2020147524-A | Pollen tube growth regulator | 20190313 |
WO-2020180770-A1 | Bicyclic heterocyclyl compounds and uses thereof | 20190301 |
WO-2020157189-A1 | 1,2,4-triazin-6(1h)-one compounds for the treatment of hyperproliferative diseases | 20190201 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.01474201 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.01474201 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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