CIBACRON BRILLIANT YELLOW 3G-P

• CAS: 50662-99-2
• Catalog Number: ACM50662992
• Category: Reactive Dyes
• Molecular Weight: 872.974
• Molecular Formula: C₂₅H₁₈Cl₃N₉O₁₀S₃?3Na
• Synonyms: Reactive yellow 2, Cibacron Brilliant Yellow 3G-P, 50662-99-2
• IUPAC Name: trisodium 2,5-dichloro-4-[4-[[5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate
• Canonical SMILES: CC1=NN(C(=O)C1=NNC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])C5=CC(=C(C=C5Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
• InChI Key: WHOSTXMLMFSVMN-UHFFFAOYSA-K
• Appearance: orange powder.
• EC Number: 256-692-1
• Exact Mass: 870.88600
• H-Bond Acceptor: 18
• H-Bond Donor: 3
• Safety Description: S24/25
• WGK Germany: 3

Custom Q&A

What is the molecular formula of CIBACRON BRILLIANT YELLOW 3G-P?

The molecular formula of CIBACRON BRILLIANT YELLOW 3G-P is C25H15Cl3N9Na3O10S3.

What is the molecular weight of CIBACRON BRILLIANT YELLOW 3G-P?

The molecular weight of CIBACRON BRILLIANT YELLOW 3G-P is 873.0 g/mol.

When was CIBACRON BRILLIANT YELLOW 3G-P created?

CIBACRON BRILLIANT YELLOW 3G-P was created on July 19, 2005.

When was CIBACRON BRILLIANT YELLOW 3G-P last modified?

CIBACRON BRILLIANT YELLOW 3G-P was last modified on December 23, 2023.

What is the IUPAC name of CIBACRON BRILLIANT YELLOW 3G-P?

The IUPAC name of CIBACRON BRILLIANT YELLOW 3G-P is trisodium;2,5-dichloro-4-[4-[[5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonate.

What is the InChI of CIBACRON BRILLIANT YELLOW 3G-P?

The InChI of CIBACRON BRILLIANT YELLOW 3G-P is InChI=1S/C25H18Cl3N9O10S3.3Na/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(4-7-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-2-5-14(6-3-12)48(39,40)41;;;/h2-10,36H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;;/q;3*+1/p-3.

What is the InChIKey of CIBACRON BRILLIANT YELLOW 3G-P?

The InChIKey of CIBACRON BRILLIANT YELLOW 3G-P is GZNBZTDZMXUVML-UHFFFAOYSA-K.

What is the canonical SMILES of CIBACRON BRILLIANT YELLOW 3G-P?

The canonical SMILES of CIBACRON BRILLIANT YELLOW 3G-P is CC1=C(C(=O)N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)[O-])Cl)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].

What is the CAS number of CIBACRON BRILLIANT YELLOW 3G-P?

The CAS number of CIBACRON BRILLIANT YELLOW 3G-P is 50662-99-2.

What are the computed properties of CIBACRON BRILLIANT YELLOW 3G-P?

The computed properties of CIBACRON BRILLIANT YELLOW 3G-P include its molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, and covalently-bonded unit count.