Acid Blue 1 - Materials / Alfa Chemistry

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Acid Blue 1

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Catalog Number

ACMA00016813

Product Name

Acid Blue 1

Category

Polymers

Description

Sulfan blue is a dark greenish-black powder. (NTP, 1992)

IUPAC Name

sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate

Molecular Weight

566.7g/mol

Molecular Formula

C27H31N2NaO6S2

Canonical SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1

InChI Key

SJEYSFABYSGQBG-UHFFFAOYSA-M

Solubility

Soluble (>=10 mg/ml at 70° F) (NTP, 1992);ONE G DISSOLVES IN 20 ML WATER @ 20 °C; PARTLY SOL IN ALCOHOL;30 mg/ml in water; 30 mg/ml in 2-methoxyethanol; 7 mg/ml in ethanol

Color/Form

VIOLET POWDER;Dark bluish-green powder

Complexity

1040

Covalently-Bonded Unit Count

EC Number

204-934-1;204-165-1;608-505-3

Exact Mass

566.152123g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

(4-(alpha-(p-(diethylamino)phenyl)-2,4-disulfobenzylidene)-2,5-cyclohexadien-1-ylidene)diethylammonium hydroxide inner salt sodium salt;acid blue 1;acid blue 3;alphazurine 2G;bleu patent V;blue patent violet;Blue URS;Blue VRS;C.I. acid blue 1;C.I. acid blue 3;disulfine blue;disulphine blue;ethanaminium, n-(4-((4-(diethylamino)phenyl)(2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-n-ethyl-, hydroxide, inner salt, sodium salt;patent blue V;patent blue violet;sodium 4-((4-(diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)benzene-1,3-disulphonate;sulfan blue;sulphan blue

Monoisotopic Mass

566.152123g/mol

Other Experimental

A 2% AQ SOLN SHOWED A DEPRESSION OF SURFACE TENSION OF WATER OF 38.5% @ 37 °C;DILUTE AQ SOLN ARE BLUE & TURN YELLOW UPON ADDITION OF CONCN HYDROCHLORIC ACID; IN ABSENCE OF STRONG ACID OR CAUSTIC THE BLUE COLOR IS STABLE OVER WIDE PH RANGE;C.I. Acid Blue 1 displays acid-base-indicator properties, turning orange in the presence of concentrated hydrochloric acid and deep blue when sodium hydroxide is added.

Rotatable Bond Count

UNII

FH1929ICIT

UN Number

1602

MSDS

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COA

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Spec Sheet

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