C.I. Acid Red 114

Base Information

• Chemical Name: C.I. Acid Red 114
• CAS No.: 6459-94-5
• Deprecated CAS: 471258-22-7
• Molecular Formula: C37H30 N4 O10 S3 . 2 Na
• Molecular Weight: 830.85
• Hs Code.: 3204120000
• European Community (EC) Number: 229-272-0
• UNII: P8TW4PSS87
• DSSTox Substance ID: DTXSID8021224
• Wikidata: Q27286379
• ChEMBL ID: CHEMBL3188178,CHEMBL1559341
• Mol file: 6459-94-5.mol

Synonyms:8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-1,3-naphthalenedisulfonic acid disodium salt;Acid Leather Red BG;Acid Red 114;C.I. Acid Red 114;C.I. Acid Red 114, disodium salt;CI Acid Red 114;Erionyl Red RS

Chemical Property of C.I. Acid Red 114

Chemical Property:

• Appearance/Colour: solid
• Boiling Point: Vapour density:
• PSA: 252.58000
• LogP: 11.78670
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 830.07629519
• Heavy Atom Count: 56
• Complexity: 1620

Purity/Quality:

98% ^*data from raw suppliers

AcidRed114(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T
• Hazard Codes: Xn,T
• Statements: 40-45
• Safety Statements: 22-36/37/39-45-53

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Benzidine Dyes
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C)C.[Na+].[Na+]
• Uses: Acid Red 114 is an azo dye used in diagnostics and textiles industry. It is also present in wastewater and textile effluents contributing to environmental hazards.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.