Acid blue 1

CAS

129-17-9

Catalog Number

ACM129179

Category

Acid Dyes

Molecular Weight

566.66

Molecular Formula

C27H31N2NaO6S2

MSDS COA Spec Sheet

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Specification

Synonyms

Ethanaminium, N-(4-((4-(diethylamino)phenyl)(2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, sodium salt

IUPAC Name

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

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

SJEYSFABYSGQBG-UHFFFAOYSA-M

InChI Key

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

Melting Point

>250°C

Density

6.9 (10g/l, H2O, 20°C)

Active Content

95%

Physical State

Solid

What is the molecular formula of ACID BLUE 1 according to the reference?

The molecular formula of ACID BLUE 1 is C27H31N2NaO6S2.

What is the molecular weight of ACID BLUE 1?

The molecular weight of ACID BLUE 1 is 566.7 g/mol.

What are some synonyms for ACID BLUE 1?

Some synonyms for ACID BLUE 1 are Sulfan Blue, Acid blue 1, Patent Blue VF, and Patent Blue.

What is the IUPAC Name of ACID BLUE 1?

The IUPAC Name of ACID BLUE 1 is sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate.

What is the InChIKey of ACID BLUE 1?

The InChIKey of ACID BLUE 1 is SJEYSFABYSGQBG-UHFFFAOYSA-M.

What is the Canonical SMILES of ACID BLUE 1?

The Canonical SMILES of ACID BLUE 1 is 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+].

What is the CAS number of ACID BLUE 1?

The CAS number of ACID BLUE 1 is 129-17-9.

How many hydrogen bond acceptors does ACID BLUE 1 have?

ACID BLUE 1 has 7 hydrogen bond acceptors.

What is the exact mass of ACID BLUE 1?

The exact mass of ACID BLUE 1 is 566.15212334 g/mol.

What is the topological polar surface area of ACID BLUE 1?

The topological polar surface area of ACID BLUE 1 is 137 Å².