2,3,6-Trifluorophenylacetic acid - CAS 114152-23-7
Catalog: |
BB003303 |
Product Name: |
2,3,6-Trifluorophenylacetic acid |
CAS: |
114152-23-7 |
Synonyms: |
2-(2,3,6-trifluorophenyl)acetic acid |
IUPAC Name: | 2-(2,3,6-trifluorophenyl)acetic acid |
Description: | 2,3,6-Trifluorophenylacetic acid (CAS# 114152-23-7 ) is a useful research chemical. |
Molecular Weight: | 190.12 |
Molecular Formula: | C8H5F3O2 |
Canonical SMILES: | C1=CC(=C(C(=C1F)CC(=O)O)F)F |
InChI: | InChI=1S/C8H5F3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13) |
InChI Key: | QRAZASHLGLHKEB-UHFFFAOYSA-N |
Boiling Point: | 249.5 ℃ at 760 mmHg |
Melting Point: | 111-114 ℃(lit.) |
Purity: | 95 % |
Density: | 1.468 g/cm3 |
Appearance: | White powder or crystals |
MDL: | MFCD00061217 |
LogP: | 1.73100 |
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-2021170886-A2 | Electronic device | 20200806 |
WO-2019099760-A1 | Aryl-substituted acetamide and pyrrolidin-2-one derivatives and their use for the treatment of seizures | 20171116 |
US-2020360342-A1 | Aryl-substituted acetamide and pyrrolidin-2-one derivatives and their use for the treatment of seizures | 20171116 |
DE-102015116389-A1 | Organic electronic device with carrier generation layer and use of a zinc complex as a p-type dopant in carrier generation layers | 20150928 |
US-10581001-B2 | Organic electronic component having a charge carrier generation layer and the use of a zinc complex as a P-type dopant in charge carrier generation layers | 20150928 |
Complexity: | 198 |
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: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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