trans-2,6-Difluorocinnamic acid - CAS 102082-89-3
Catalog: |
BB000772 |
Product Name: |
trans-2,6-Difluorocinnamic acid |
CAS: |
102082-89-3 |
Synonyms: |
(E)-3-(2,6-difluorophenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(2,6-difluorophenyl)prop-2-enoic acid |
Description: | trans-2,6-Difluorocinnamic acid (CAS# 102082-89-3) is a useful research chemical. |
Molecular Weight: | 184.14 |
Molecular Formula: | C9H6F2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)C=CC(=O)O)F |
InChI: | InChI=1S/C9H6F2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+ |
InChI Key: | JMUOYANNVIFGFN-SNAWJCMRSA-N |
Boiling Point: | 340.8 °C at 760 mmHg |
Melting Point: | 124-125 °C |
Purity: | 95 % |
Density: | 1.34 g/cm3 |
Appearance: | Light beige crystalline powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00010319 |
LogP: | 2.06260 |
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 |
CN-112608275-A | Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases | 20201229 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2020252075-A1 | Ligand-exchangeable janus nanoparticles and methods of making the same | 20190614 |
US-10544168-B2 | Ligand-exchangeable nanoparticles and methods of making the same | 20160615 |
US-2017362255-A1 | Ligand-exchangeable nanoparticles and methods of making the same | 20160615 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 184.03358575 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.03358575 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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