Product Code
TRC-C216860
CAS Number
6358-80-1
Product Format
Neat
Molecular Formula
C41 H29 N8 O11 S3 . 3 Na
Molecular Weight
974.88
Product Categories
TRC
Product Type
Other
Price and availability
24-hour USA dispatch time
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Documentation
Certificate of Analysis
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Safety Data Sheet
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Product Information
Product Data
Analyte Name
C. I. Acid Black 94 (Technical Grade)
CAS Number
6358-80-1
Molecular Formula
C41 H29 N8 O11 S3 . 3 Na
Molecular Weight
974.88
Accurate Mass
974.081
SMILES
[Na+].[Na+].[Na+].Cc1ccccc1Nc2cc(O)ccc2N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5c(N)c6c(O)c(N=Nc7ccc(cc7)S(=O)(=O)[O-])c(cc6cc5S(=O)(=O)[O-])S(=O)(=O)[O-]
InChI
InChI=1S/C41H32N8O11S3.3Na/c1-23-4-2-3-5-32(23)43-34-22-30(50)16-19-33(34)47-44-27-10-6-24(7-11-27)25-8-12-28(13-9-25)45-48-39-35(62(55,56)57)20-26-21-36(63(58,59)60)40(41(51)37(26)38(39)42)49-46-29-14-17-31(18-15-29)61(52,53)54;;;/h2-22,43,50-51H,42H2,1H3,(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3
IUPAC
trisodium;4-amino-5-hydroxy-3-[[4-[4-[[4-hydroxy-2-(2-methylanilino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Storage & Transport Information
Product Attributes
Product Format
Neat
Product citations
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