Methyl Blue

Base Information

• Chemical Name: Methyl Blue
• CAS No.: 6415-98-1
• Deprecated CAS: 1324-79-4
• Molecular Formula: C37H29 N3 O9 S3 . 2 Na
• Molecular Weight: 799.814
• European Community (EC) Number: 249-352-9,229-121-9
• DSSTox Substance ID: DTXSID80214360
• Wikipedia: Methyl_blue
• Mol file: 6415-98-1.mol

Synonyms:Acid Blue 93;disodium ((4-(bis(4-((sulphonatophenyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)amino)benzenesulphonate;Methyl Blue

Chemical Property of Methyl Blue

Chemical Property:

• PSA: 230.33000
• LogP: 10.31770
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 799.07048153
• Heavy Atom Count: 54
• Complexity: 1620

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC2=CC=C(C=C2)S(=O)(=O)[O-])C=CC1=C(C3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Na+]

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