1-Chloro-2-ethynylbenzene - CAS 873-31-4
Catalog: |
BB038381 |
Product Name: |
1-Chloro-2-ethynylbenzene |
CAS: |
873-31-4 |
Synonyms: |
1-chloro-2-ethynylbenzene |
IUPAC Name: | 1-chloro-2-ethynylbenzene |
Description: | 1-Chloro-2-ethynylbenzene (CAS# 873-31-4) is a compound useful in organic synthesis. |
Molecular Weight: | 136.58 |
Molecular Formula: | C8H5Cl |
Canonical SMILES: | C#CC1=CC=CC=C1Cl |
InChI: | InChI=1S/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6H |
InChI Key: | DGLHLIWXYSGYBI-UHFFFAOYSA-N |
Boiling Point: | 82 °C (12 mmHg) |
Purity: | 98 % |
Density: | 1.125 g/cm3 |
Appearance: | Colourless liquid |
Storage: | Keep Cold |
MDL: | MFCD00269951 |
LogP: | 2.32130 |
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 |
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PMID | Publication Date | Title | Journal |
18208458 | 20080501 | Synthesis and excited-state photodynamics of a chlorin-bacteriochlorin dyad--through-space versus through-bond energy transfer in tetrapyrrole arrays | Photochemistry and photobiology |
16711674 | 20060529 | Photoinduced electron-transfer reactions of platinum(II) terpyridyl acetylide complexes: reductive quenching in a hydrogen-generating system | Inorganic chemistry |
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: | 2.8 |
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