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Fast Blue B Salt

CAT: 0127-BIF2001-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-BIF2001-01Size:5 g
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CAS Number
14263-94-6
Synonyms
O-Dianisidine bis (diazotized) zinc double salt, Azoic Diazo No. 48, DBB, Diazo Blue B, Naphthanil Diazo Blue B
MDL Number
MFCD00075203
Smiles
[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].COc1cc(ccc1[N+]#N)c2ccc([N+]#N)c(OC)c2
Storage Conditions
Store at 2-8°C

Chemical Information

3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-bis(diazonium) dichloride, compound with zinc chloride

Fast blue salt B is an organic chloride salt composed of 3,3'-dimethoxy[1,1'-biphenyl]-4,4'-bis(diazonium), zinc and chloride ions in a ratio of 1:1:4. Used for detection of marijuana metabolites in urine. It has a role as a histological dye. It is a zinc molecular entity and an organic chloride salt. It contains a zinc dichloride and a fast blue B.

CAS Number14263-94-6
PubChem CID84305
IUPAC Namezinc;4-(4-diazonio-3-methoxyphenyl)-2-methoxybenzenediazonium;tetrachloride
Molecular FormulaC14H12Cl4N4O2Zn
Molecular Weight475.5
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity383
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]#N)OC)[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChI
InChI=1S/C14H12N4O2.4ClH.Zn/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2;;;;;/h3-8H,1-2H3;4*1H;/q+2;;;;;+2/p-4
InChIKey
GPPKNJIWDULNQH-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of 3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-bis(diazonium) dichloride, compound with zinc chloride
CAS: 14263-94-6
CID: 84305
Formula: C14H12Cl4N4O2Zn
MW: 475.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass473.897628
Monoisotopic Mass471.900578
Topological Polar Surface Area74.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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