Phthalan supplier | CasNO.496-14-0

Name
Phthalan
EINECS 207-815-2
CAS No. 496-14-0
Article Data39
CAS DataBase
Density 1.097 g/cm³
Solubility
Melting Point 6oC
Formula C₈H₈O
Boiling Point 191.999 °C at 760 mmHg
Molecular Weight 120.151
Flash Point 63.333 °C
Transport Information
Appearance clear colourless to slightly yellow liquid
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Phthalan(6CI,7CI,8CI);1,3-Dihydroisobenzofuran;2-Oxaindan;Isocoumaran;2,5-Dihydro-3,4-benzofuran; o-Xylylene oxide; 1,3-Dihydroisobenzofuran;
PSA 9.23000
LogP 1.71680

Phthalan Specification

The Phthalan with the cas number 496-14-0 is also called 2-Oxaindan. The IUPAC name is 1,3-dihydro-2-benzofuran and the systematic name is 1,3-Dihydroisobenzofuran. Its EINECS registry number is 207-815-2. This chemical is clear colourless to slightly yellow liquid.

Properties Computed from Structure: (1)XLogP3: 1.8; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 0; (5)Exact Mass: 120.057515; (6)MonoIsotopic Mass: 120.057515; (7)Topological Polar Surface Area: 9.2; (8)Heavy Atom Count: 9; (9)Formal Charge: 0; (10)Complexity: 88.7; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

Preparation: This chemical can be prepared by 1,2-bis-hydroxymethyl-benzene. This reaction needs reagent toluene-4-sulfonic acid, diphenyl ether and biphenyl at temperature of 250 ºC.

Uses: This chemical can prepare 1,3,4,7-tetrahydrobenzo[c]furan. This reaction needs reagent KMnO₄ and CuSO₄*5H₂O at temperature of 20 ℃. The reaction time is 5 min. The yield is 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: c12c(COC1)cccc2
(2)InChI: InChI=1/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2

Product Name

Phthalan

Phthalan Specification

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