[U-Ring-13C6]-Benzenemethanol

Base Information

• Chemical Name: [U-Ring-13C6]-Benzenemethanol
• CAS No.: 201740-95-6
• Molecular Formula: C7H8O
• Molecular Weight: 114.19
• European Community (EC) Number: 694-269-7
• DSSTox Substance ID: DTXSID70584347
• Wikidata: Q82475996
• Mol file: 201740-95-6.mol

Synonyms:201740-95-6;Benzyl alcohol-13C6;(1,2,3,4,5,6-13C6)Cyclohexatrienylmethanol;[U-Ring-13C6]-Benzenemethanol;(~13~C_6_)Phenylmethanol;DTXSID70584347;HY-B0892S3;CS-0541850;Benzyl alcohol-(phenyl-3C6), 99 atom % 13C

Chemical Property of [U-Ring-13C6]-Benzenemethanol

Chemical Property:

• Melting Point: -16--13 °C(lit.)
• Boiling Point: 203-205 °C(lit.)
• Flash Point: 96 °C
• PSA: 20.23000
• Density: 1.102 g/mL at 25 °C
• LogP: 1.17890
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 114.07764389
• Heavy Atom Count: 8
• Complexity: 55.4

Purity/Quality:

99% by CP; 99% atom 13C ^*data from raw suppliers

Benzyl-13C6Alcohol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CO
• Isomeric SMILES: [13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)CO

Technology Process of [U-Ring-13C6]-Benzenemethanol

There total 1 articles about [U-Ring-13C6]-Benzenemethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

[13C7]benzoic acid (222412-89-7,170703-36-3) → (13)C7H8O (201740-95-6)

Guidance literature:

With dimethylsulfide borane complex; In diethyl ether; for 1.25h; Heating;

DOI:10.1002/(SICI)1099-1344(199902)42:2<135::AID-JLCR175>3.0.CO;2-M

upstream raw materials:

[13C₇]benzoic acid

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