1,1,3-Triphenylpropargyl alcohol - CAS 1522-13-0
Catalog: |
BB010761 |
Product Name: |
1,1,3-Triphenylpropargyl alcohol |
CAS: |
1522-13-0 |
Synonyms: |
1,1,3-triphenylprop-2-yn-1-ol |
IUPAC Name: | 1,1,3-triphenylprop-2-yn-1-ol |
Description: | 1,1,3-Triphenylpropargyl alcohol (CAS# 1522-13-0) is used as a reagent in the chemical synthesis of several organic compounds including that of polysubstituted 4H-thiopyrans from β-oxodithioesters and the one-pot synthesis of pyrazoles via a four-step CAScade sequence. |
Molecular Weight: | 284.35 |
Molecular Formula: | C21H16O |
Canonical SMILES: | C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O |
InChI: | InChI=1S/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H |
InChI Key: | VWRQCJRTHKUVNF-UHFFFAOYSA-N |
Boiling Point: | 220 °C / 1 mmHg, 470.7 °C at 760 mmHg |
Melting Point: | 79-83 °C |
Purity: | > 98.0 % (GC) |
Density: | 1.18 g/cm3 |
Appearance: | Slightly yellow powder |
MDL: | MFCD00004449 |
LogP: | 3.97420 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.120115130 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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