(Chloroethynyl)benzene - CAS 1483-82-5
Catalog: |
BB010295 |
Product Name: |
(Chloroethynyl)benzene |
CAS: |
1483-82-5 |
Synonyms: |
2-chloroethynylbenzene |
IUPAC Name: | 2-chloroethynylbenzene |
Description: | (Chloroethynyl)benzene (CAS# 1483-82-5 ) is a useful research chemical. |
Molecular Weight: | 136.58 |
Molecular Formula: | C8H5Cl |
Canonical SMILES: | C1=CC=C(C=C1)C#CCl |
InChI: | InChI=1S/C8H5Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H |
InChI Key: | GDWZLADUGAKASM-UHFFFAOYSA-N |
MDL: | MFCD17013535 |
LogP: | 2.23440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111747823-A | Polysubstituted chlorine ethynylbenzene compound and preparation method and application thereof | 20200722 |
CN-111747823-B | Polysubstituted chlorine ethynylbenzene compound and preparation method and application thereof | 20200722 |
CN-111592607-A | Application of covalent organic framework material loaded with rhodium catalyst in alkyne polymerization | 20200522 |
CN-111592608-A | Application of palladium source catalyst in alkyne polymerization | 20200522 |
CN-111592608-B | Application of palladium source catalyst in alkyne polymerization | 20200522 |
PMID | Publication Date | Title | Journal |
21699165 | 20110720 | Mechanisms of the thermal cyclotrimerizations of fluoro- and chloroacetylenes: density functional theory investigation and intermediate trapping experiments | Journal of the American Chemical Society |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.0079779 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.0079779 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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