2,5-Difluorophenylacetic acid - CAS 85068-27-5
Catalog: |
BB037448 |
Product Name: |
2,5-Difluorophenylacetic acid |
CAS: |
85068-27-5 |
Synonyms: |
2-(2,5-difluorophenyl)acetic acid |
IUPAC Name: | 2-(2,5-difluorophenyl)acetic acid |
Description: | 2,5-Difluorophenylacetic acid has been used in the synthesis of 2,2-dimethyl-4-(2,5-difluorophenyl)-5-[4-(aminosulfonyl)phenyl]-3(2H)-furanone. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | C1=CC(=C(C=C1F)CC(=O)O)F |
InChI: | InChI=1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12) |
InChI Key: | FKCRTRYQHZHXES-UHFFFAOYSA-N |
Boiling Point: | 251.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.02 g/cm3 |
Appearance: | White crystals or crystalline flakes |
MDL: | MFCD00010000 |
LogP: | 1.59190 |
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-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2020229968-A1 | Non-lysosomal glucosylceramidase inhibitors and uses thereof | 20190510 |
CN-111285872-A | Indole-2-ketone derivative and preparation method and application thereof | 20181206 |
WO-2019158634-A1 | Deuterated derivatives of 9-(2,5-difluorophenethyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one | 20180216 |
TW-201940462-A | Compound | 20180126 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03358575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03358575 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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