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

Download MSDS

COA

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Spec Sheet

Download Spec Sheet

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