3,4-Dichlorophenylacetylene - CAS 556112-20-0
Catalog: |
BB029111 |
Product Name: |
3,4-Dichlorophenylacetylene |
CAS: |
556112-20-0 |
Synonyms: |
1,2-dichloro-4-ethynylbenzene |
IUPAC Name: | 1,2-dichloro-4-ethynylbenzene |
Description: | 3,4-Dichlorophenylacetylene (CAS# 556112-20-0) is a useful research chemical. |
Molecular Weight: | 171.02 |
Molecular Formula: | C8H4Cl2 |
Canonical SMILES: | C#CC1=CC(=C(C=C1)Cl)Cl |
InChI: | InChI=1S/C8H4Cl2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H |
InChI Key: | MJHFEHXRVNTQIL-UHFFFAOYSA-N |
Boiling Point: | 225.1 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
MDL: | MFCD07783046 |
LogP: | 2.97470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, 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 |
US-2021130328-A1 | Novel compounds with thymine skeleton for use in medicine | 20191105 |
EP-3819006-A1 | Compounds with thymine skeleton for use in medicine | 20191105 |
WO-2020223672-A1 | Functionalized cyclic polymers and methods of preparing same | 20190501 |
CN-109456237-A | The synthetic method of alkynyl sulfone | 20181212 |
WO-2019067702-A1 | INHIBITORS WITH SMALL MOLECULES OF GALECTIN-3 | 20170927 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.9690055 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.9690055 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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