3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid - CAS 70126-48-6
Catalog: |
BB034079 |
Product Name: |
3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid |
CAS: |
70126-48-6 |
Synonyms: |
3-(1,1,2,2-tetrafluoroethoxy)benzoic acid |
IUPAC Name: | 3-(1,1,2,2-tetrafluoroethoxy)benzoic acid |
Description: | 3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid (CAS# 70126-48-6) is a useful research chemical. |
Molecular Weight: | 238.14 |
Molecular Formula: | C9H6F4O3 |
Canonical SMILES: | C1=CC(=CC(=C1)OC(C(F)F)(F)F)C(=O)O |
InChI: | InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-2-5(4-6)7(14)15/h1-4,8H,(H,14,15) |
InChI Key: | KXSUHQSIHGQDQV-UHFFFAOYSA-N |
Boiling Point: | 127-128 °C |
Melting Point: | 122-126 °C (lit.) |
Purity: | 95 % |
Density: | 1.446 g/cm3 |
MDL: | MFCD00155925 |
LogP: | 2.62150 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2013211707-A1 | Substituted phenylimidazopyrazoles and use thereof | 20120125 |
CA-2862163-A1 | Substituted phenylimidazopyrazoles and use thereof | 20120125 |
EP-2807162-B1 | Substituted phenylimidazopyrazoles and use thereof | 20120125 |
JP-2015504904-A | Substituted phenylimidazopyrazoles and uses thereof | 20120125 |
JP-6101290-B2 | Substituted phenylimidazopyrazoles and uses thereof | 20120125 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.02530670 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.02530670 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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