1-Ethynyl-4-fluorobenzene - CAS 766-98-3
Catalog: |
BB035679 |
Product Name: |
1-Ethynyl-4-fluorobenzene |
CAS: |
766-98-3 |
Synonyms: |
1-ethynyl-4-fluorobenzene |
IUPAC Name: | 1-ethynyl-4-fluorobenzene |
Description: | 1-Ethynyl-4-fluorobenzene (CAS# 766-98-3) is a compound useful in organic synthesis. |
Molecular Weight: | 120.12 |
Molecular Formula: | C8H5F |
Canonical SMILES: | C#CC1=CC=C(C=C1)F |
InChI: | InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H |
InChI Key: | QXSWHQGIEKUBAS-UHFFFAOYSA-N |
Boiling Point: | 55-56 °C (40 mmHg) |
Purity: | 98 % |
Density: | 1.048 g/cm3 |
MDL: | MFCD00168823 |
LogP: | 1.80700 |
GHS Hazard Statement: | H228 (98.08%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501835-A | Aluminium chloride catalyzed end group alkyne dehydroboronization method | 20210712 |
CN-113429325-A | Polysubstituted selenium-containing cyclopentene (hexene) skeleton derivative and synthetic method thereof | 20210706 |
CN-113429335-A | Lysosome targeted dual-response two-photon fluorescence probe and preparation method and application thereof | 20210625 |
CN-113354511-A | Synthesis method of gem-1, 3-eneyne compound | 20210609 |
CN-113248455-A | 3, 5-disubstituted isoxazole derivatives and synthesis method thereof | 20210525 |
PMID | Publication Date | Title | Journal |
21879772 | 20111020 | Interaction of alcohols with 2-fluoro- and 4-fluorophenylacetylenes: infrared-optical double resonance spectroscopic and computational investigation | The journal of physical chemistry. A |
19206507 | 20090305 | Hydrogen bonding to multifunctional molecules: spectroscopic and ab initio investigation of water complexes of fluorophenylacetylenes | The journal of physical chemistry. A |
17300931 | 20070401 | Design and synthesis of beta-methoxyacrylate analogues via click chemistry and biological evaluations | Bioorganic & medicinal chemistry letters |
11843148 | 20020118 | Polybenzimidazole-supported [Rh(cod)Cl]2 complex: effective catalyst for the polymerization of substituted acetylenes | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.037528322 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.037528322 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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