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Reactive Blue 2

HCID 656725
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Basic information

CAS
12236-82-7
Standard SMILES
Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)O)c4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O
InChIKey
JQYMGXZJTCOARG-UHFFFAOYSA-N
Molecular formula
C29H20ClN7O11S3
Average molar mass
774.2 g/mol

Overview

Reactive blue 2 is an anthraquinone.

Names & identifiers

Preferred name
Reactive Blue 2
IUPAC
1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
English name
REACTIVE BLUE 2
Molecular formula
C29H20ClN7O11S3
Molecular weight
774.16

Names & synonyms

Reactive Blue 2Procion Blue HBCibacron Blue F 3GAC.I. 612115DV0L8V99J2-Anthracenesulfonic acid, 1-amino-4-((4-((4-chloro-6-((3(or 4)-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-Affi-gel blue1-Amino-4-((4-((4-chloro-6-((3(or4)-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid1-Amino-4-((4-((4-chloro-6-((sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid2-Anthracenesulfonic acid, 1-amino-4-(4-((4-chloro-6-(sulfoanilino)-s-triazin-2-yl)amino)-3-sulfoanilino)-9,10-dihydro-9,10-dioxo-Cibacron Blue F3GACibacron Blue F(3)GA
Show more names
Kayacion Blue A-BCI 61211CI NO 61211GST Inhibitor-1CIBRACONBLUEF3GAPROCION BLUE HBSC.I.REACTIVEBLUE2
1-amino-4-(4-((4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl)amino)-3-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid1-amino-4-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acidRefChem:577120NSC-328383235-465-012236-82-7C.I. Reactive Blue 2cibacron Blue 3G-A

Properties

Computed structural propertiesFilling in

XLogP
4.4
Topological polar surface area
323 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
18
Rotatable bonds
9
Heavy atoms
51
Formal charge
0
Complexity
1,640

Experimental & physicochemical properties

Chemical ClassesDyes -> Anthraquinone Dyes
Physical DescriptionDeep blue powder; [Sigma-Aldrich MSDS]

Physicochemical properties

storage temp.
2 · 2-8°C
solubility
2 O: · H2O: soluble
form
saline suspension
color
dark blue
Stability
Stable. Incompatible with strong oxidizing agents.
CAS DataBase Reference
12236 · 12236-82-7
FDA UNII
5 DV0L8V99J · 5DV0L8V99J
EPA Substance Registry System
2 · 2-Anthracenesulfonic acid, 1-amino-4-[[4-[[4-chloro-6-[[3(or 4)-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo- (12236-82-7)
Symbol(GHS)
7 · GHS07
Signal word

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS ClassificationNot Classified

Hazard information

Regulatory Information · 2 items

Chemical: 2-Anthracenesulfonic acid, 1-amino-4-[[4-[[4-chloro-6-[(3(or 4)-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-

2-Anthracenesulfonic acid, 1-amino-4-4-4-chloro-6-3(or 4)-sulfophenylamino-1,3,5-triazin-2-ylamino-3-sulfophenylamino-9,10-dihydro-9,10-dioxo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryConjugated to sepharose for affinity column for serum albumin; dye is a potent inhibitor of protein synthesis in some mammalian cell extracts. [ChemIDplus] An irritant; [Sigma-Aldrich MSDS] See Alizurol Purple.
Hazard Classes and CategoriesNot Classified

Safety data

F
10-21
wgk
3
tsca
TSCA listed
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Compounds which inhibit the synthesis of proteins. They are usually ANTI-BACTERIAL AGENTS or toxins. Mechanism of the action of inhibition includes the interruption of peptide-chain elongation, the blocking the A site of ribosomes, the misreading of the genetic code or the prevention of the attachment of oligosaccharide side chains to glycoproteins.

Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.

Uses & manufacturing

General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[[4-[[4-chloro-6-[[3(or 4)-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-: ACTIVE
Preparation methods · 1 item

Preparation1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid and 2,5-Diaminobenzenesulfonic acid condensation, again with 2,4,6-Trichloro-1,3,5-triazine condensation, and 4-Aminobenzenesulfonic acid or 3-Aminobenzenesulfonic acid condensation.

Upstream & downstream products

Upstream raw materials

2,5-Diaminobenzenesulfonic acidSulfanilic acidMetanilic acidBromaminic acid

Related reactions

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Compound notes

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Database identifiers

CAS
12236-82-7、79241-87-5
PubChem CID
656725
ChEMBL
CHEMBL1160031
ChEBI
CHEBI:34946
UNII
J0A052J6QF
EC Number
235-465-0
Nikkaji
J304.136K
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
WGK Germany
3 · 3
F
10 · 10-21
TSCA
TSCA listed
Cyanuric chloride