2,4-Difluorophenylacetic acid - CAS 81228-09-3
Catalog: |
BB036632 |
Product Name: |
2,4-Difluorophenylacetic acid |
CAS: |
81228-09-3 |
Synonyms: |
2-(2,4-difluorophenyl)acetic acid |
IUPAC Name: | 2-(2,4-difluorophenyl)acetic acid |
Description: | 2,4-Difluorophenylacetic acid (CAS# 81228-09-3) is used in the synthesis of nonpolar peptide nucleic acid monomers containing fluoroaromatics (F-PNA). |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | C1=CC(=C(C=C1F)F)CC(=O)O |
InChI: | InChI=1S/C8H6F2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12) |
InChI Key: | QPKZIGHNRLZBCL-UHFFFAOYSA-N |
Boiling Point: | 257.2 ℃ at 760 mmHg |
Melting Point: | 115-120 ℃ |
Purity: | 98 % |
Density: | 1.373 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00009999 |
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-2021170886-A2 | Electronic device | 20200806 |
CN-111151297-A | Catalyst for phosgenation reaction and phosgenation reaction method | 20200119 |
CN-111151297-B | Catalyst for phosgenation reaction and phosgenation reaction method | 20200119 |
WO-2021143194-A1 | Catalyst for phosgenation reaction and phosgenation reaction method | 20200119 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
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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