Phenyl propargyl ether - CAS 13610-02-1
Catalog: |
BB008299 |
Product Name: |
Phenyl propargyl ether |
CAS: |
13610-02-1 |
Synonyms: |
(2-Propyn-1-yloxy)benzene; Benzene, (2-propynyloxy)-; (2-Propynyloxy)benzene; (Phenoxymethyl)acetylene; (Propargyloxy)benzene; 1-(Prop-2-ynyloxy)benzene; 1-Naphthyl propargyl ether; 1-Phenoxy-2-propyne; 2-Propynyoxybenzene; 3-Phenoxy-1-propyne; 3-Phenoxypropyne; 3-Phenyloxy-1-propyne; Phenyl 2-propynyl ether; Phenyloxymethylacetylene; Propargyl phenyl ether |
IUPAC Name: | prop-2-ynoxybenzene |
Molecular Weight: | 132.16 |
Molecular Formula: | C9H8O |
Canonical SMILES: | C#CCOC1=CC=CC=C1 |
InChI: | InChI=1S/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2 |
InChI Key: | AIQRJSXKXVZCJO-UHFFFAOYSA-N |
Boiling Point: | 98°C at 23 Torr |
Melting Point: | 273°C (dec.) |
Purity: | ≥95% |
Density: | 1.0426 g/cm3 |
Solubility: | Soluble in Water (Slightly, 1.0 g/L at 25°C) |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00048107 |
LogP: | 1.69860 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22307892 | 20120312 | Cyclization of aromatic propargyl alcohol with a thiophene group yielding naphthothiophene aldehyde induced by a ruthenium complex | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.057514874 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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