Benzyl-alpha-13c-alpha alpha-d2 alcohol

Base Information

• Chemical Name: Benzyl-alpha-13c-alpha alpha-d2 alcohol
• CAS No.: 285977-71-1
• Molecular Formula: C7H6 D2 O
• Molecular Weight: 111.16
• European Community (EC) Number: 693-187-9
• DSSTox Substance ID: DTXSID20584019
• Wikidata: Q82475644
• Mol file: 285977-71-1.mol

Synonyms:Benzyl-alpha-13c-alpha alpha-d2 alcohol;285977-71-1;dideuterio(phenyl)(113C)methanol;Benzyl alcohol-alpha-13C-alpha,alpha-d2;laurylthioglycolate;Benzyl alcohol-|A-13C-|A,|A-d2;SCHEMBL1331010;HY-B0892S;DTXSID20584019;Phenyl(~13~C,~2~H_2_)methanol;CS-0226280;Benzyl alcohol- alpha -13C- alpha , alpha -d2;J-017134;Benzyl alcohol-alpha-13C-alpha,alpha-d2, 99 atom % 13C, 98 atom % D

Chemical Property of Benzyl-alpha-13c-alpha alpha-d2 alcohol

Chemical Property:

• Melting Point: -16--13 °C(lit.)
• Refractive Index: n20/D 1.54(lit.)
• Boiling Point: 203-205 °C(lit.)
• Flash Point: 201 °F
• PSA: 20.23000
• Density: 1.074 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: 111.073423202
• Heavy Atom Count: 8
• Complexity: 55.4

Purity/Quality:

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

Benzyl alcohol-α-13C-α,α-d2 99 atom % ^*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: [2H][13C]([2H])(C1=CC=CC=C1)O

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