My ChemCD

50925-42-3
DIRECT YELLOW 86

Directory: 1. Identification; 2. Chemical and Physical Properties; 3. Material Safety Data Sheet(MSDS); 4. CML File; 5. TOP Suppliers; 6. Related products

Name

DIRECT YELLOW 86

Formula

C39 H30 N10 O13 S4 . 4 Na

MolWeight

1066.95

CCD No.

CCD00136319

CAS

50925-42-3

MDL

MFCD00468015

1Identification

【Name】

DIRECT YELLOW 86

【CAS】

50925-42-3

【MDL】

MFCD00468015

【English Synonyms】

CI DIRECT YELLOW 86

DIRECT YELLOW 86

【Formula】

C39 H30 N10 O13 S4 . 4 Na

【MolWeight】

1066.95

【Inchi】

InChI=1S/C39H34N10O13S4.4Na/c1-21-15-23(9-11-31(21)48-46-25-17-29-27(35(19-25)65(57,58)59)5-3-7-33(29)63(51,52)53)41-38-43-37(40-13-14-50)44-39(45-38)42-24-10-12-32(22(2)16-24)49-47-26-18-30-28(36(20-26)66(60,61)62)6-4-8-34(30)64(54,55)56;;;;/h3-12,15-20,31-32,50H,13-14H2,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,40,43,44,45);;;;/q;4*+1/p-4/b41-23+,42-24+,48-46+,49-47+;;;;

【InChIKey】

InChIKey=BLERKJHFMZLRPH-IAYSPDOSSA-J

【SMILES】

CC1=C/C(=N/c2nc(nc(n2)/N=C/3\C=CC(C(=C3)C)/N=N/c4cc5c(cccc5S(=O)(=O)[O-])c(c4)S(=O)(=O)[O-])NCCO)/C=CC1/N=N/c6cc7c(cccc7S(=O)(=O)[O-])c(c6)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

【MOL File】

DIRECT YELLOW 86.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:23

XLogP3:4.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

DIRECT YELLOW 86.cml

Quick Release

TOP Suppliers

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Catalog No:ATM50925423 up to kgs
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BOC Sciences
Catalog No:BAP017357 nullnull
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More 50925-42-3 Suppliers>>

50925-42-3 DIRECT YELLOW 86

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】

【InChIKey】

【SMILES】

【MOL File】

2Chemical and Physical Properties

【Computed Properties】

3Material Safety Data Sheet(MSDS)

4CML File

TOP Suppliers

Related products

50925-42-3
DIRECT YELLOW 86