Products for Research Use Only

Reactive Blue 4

CAT: 0013-GTR19156254-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156254-02Size:500 mg
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Description
Reactive Blue 4 is an anthraquinone dye with phytotoxic, cytotoxic, and genotoxic. It is a single colorimetric chemosensor for the sequential determination of multiple analytes with different optical responses in aqueous media.
CAS Number
13324-20-4
Purity
>98% (HPLC)
Solubility
DMSO:83.33 mg/mL (130.73 mM; Need ultrasonic)
Smiles
C1=CC=C2C (=C1) C (=O) C3=C (C2=O) C (=C (C=C3NC4=CC (=C (C=C4) S (=O) (=O) O) NC5=NC (=NC (=N5) Cl) Cl) S (=O) (=O) O) N
Molecular Formula
C23H14Cl2N6O8S2
Molecular Weight
637.43
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Reactive Blue 4

used in affinity labeling of enzymes; RN given refers to parent cpd

CAS Number13324-20-4
PubChem CID25863
IUPAC Name1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
Molecular FormulaC23H14Cl2N6O8S2
Molecular Weight637.4
XLogP4.7
Topological Polar Surface Area248
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1220
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)O)N
InChI
InChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)
InChIKey
RTLULCVBFCRQKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Reactive Blue 4
CAS: 13324-20-4
CID: 25863
Formula: C23H14Cl2N6O8S2
MW: 637.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight637.4
XLogP34.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass635.9691592
Monoisotopic Mass635.9691592
Topological Polar Surface Area248 Ų
Heavy Atom Count41
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes