1,2-Bis(trideuteriomethyl)benzene

Base Information

• Chemical Name: 1,2-Bis(trideuteriomethyl)benzene
• CAS No.: 25319-54-4
• Molecular Formula: C8H4 D6
• Molecular Weight: 112.2
• European Community (EC) Number: 687-251-5
• DSSTox Substance ID: DTXSID90583837
• Nikkaji Number: J3.216.102B
• Wikidata: Q82475438
• Mol file: 25319-54-4.mol

Synonyms:25319-54-4;1,2-bis(trideuteriomethyl)benzene;O-XYLENE-ALPHA,ALPHA,ALPHA,ALPHA',ALPHA',ALPHA'-D6;DTXSID90583837;AKOS015889214;1,2-Bis[(~2~H_3_)methyl]benzene;o-Xylene-(dimethyl-d6), 98 atom % D;D99302

Chemical Property of 1,2-Bis(trideuteriomethyl)benzene

Chemical Property:

• Melting Point: -25--23 °C(lit.)
• Boiling Point: 143-145 °C(lit.)
• Flash Point: 28.9°C
• PSA: 0.00000
• Density: 0.919g/cm³
• LogP: 2.30340
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.115910795
• Heavy Atom Count: 8
• Complexity: 56.4

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Hazard Codes: T
• Statements: 60-10-20/21/22-36/37/38
• Safety Statements: 53-16-26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C
• Isomeric SMILES: [2H]C([2H])([2H])C1=CC=CC=C1C([2H])([2H])[2H]
• Uses: o-Xylene-alpha,alpha,alpha,alpha'',alpha'',alpha''-d6 (CAS# 25319-54-4) is a useful isotopically labeled research compound.

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