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Substance Name: C.I. Acid Red 114
RN: 6459-94-5
UNII: P8TW4PSS87
InChIKey: HNBQFKZSMFFZQY-WEUAPPMUSA-L

Molecular Formulas

  • C37-H28-N4-O10-S3.2Na
  • C37-H30-N4-O10-S3.2Na

Molecular Weight

  • 830.8242
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 2B
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Names and Synonyms

Name of Substance

  • C.I. Acid Red 114

Synonyms

  • 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt
  • Acid Leather Red BG
  • Acid Red 114
  • Amacid Milling Red PRS
  • Benzyl Fast Red BG
  • Benzyl Red BR
  • C.I. 23635
  • C.I. Acid Red 114
  • C.I. Acid Red 114, disodium salt
  • CCRIS 2423
  • Cerven kysela 114
  • Cerven kysela 114 [Czech]
  • CI Acid Red 114
  • Dinacid Milling Red RG
  • EINECS 229-272-0
  • Elcacid Milling Fast Red RS
  • Erionyl Red RS
  • Fenafor Red PB
  • Folan Red B
  • HSDB 5180
  • Intrazone Red BR
  • Kayanol Milling Red RS
  • Leather Fast Red B
  • Levanol Red GG
  • Midlon Red PRS
  • Milling Fast Red B
  • Milling Red B
  • Milling Red BB
  • Milling Red SWB
  • NCI C61096
  • Polar Red RS
  • Sandolan Red N-RS
  • Sella Fast Red RS
  • Sulphonol Fast Red R
  • Sulphonol Red R
  • Suminol Milling Red RS
  • Supranol Fast Red 3G
  • Supranol Fast Red GG
  • Supranol Red PBX-CF
  • Supranol Red R
  • Telon Fast Red GG
  • Tertracid Milling Red B
  • Tetracid Milling Red B
  • Tetracid Milling Red G
  • UNII-P8TW4PSS87
  • Vondamol Fast Red RS

Systematic Names

  • 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxy-, disodium salt
  • 1,3-Naphthalenedisulfonic acid, 8-(2-(3,3'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-7-hydroxy-, sodium salt (1:2)
  • C.I. Acid Red 114, disodium salt
  • Disodium 8-((3,3'-dimethyl-4'-(4-(4-methylphenylsulphonyloxy)phenylazo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxynaphthalene-1,3-disulphonate

Superlist Name

  • C.I. Acid Red 114

Registry Numbers

CAS Registry Number

  • 6459-94-5

FDA UNII

  • P8TW4PSS87

Other Registry Number

  • 471258-22-7

Related Registry Number

  • 25317-45-7 (Parent)

System Generated Number

  • 0006459945

Molecular Formulas

Molecular Formulas

  • C37-H28-N4-O10-S3.2Na
  • C37-H30-N4-O10-S3.2Na

Molecular Formula Fragments

  • C37-H28-N4-O10-S3
  • C37-H30-N4-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-40+;;

InChIKey

HNBQFKZSMFFZQY-WEUAPPMUSA-L

Smiles

[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c4ccc(N=Nc5c(O)ccc6cc(cc(c56)S(=O)(=O)[O-])S(=O)(=O)[O-])c(C)c4

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.860 (none)   EST
Water Solubility 2.52E-06 mg/L 25 EST
Vapor Pressure 3.46E-35 mm Hg 25 EST
Henry's Law Constant 5.08E-31 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.82E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.