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Substance Name: Tinopal 5bm
RN: 13863-31-5
UNII: 31F73WR7CZ
InChIKey: VVYVUOFMPAXVCH-QDBORUFSSA-L

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formulas

  • C38-H38-N12-O8-S2.2Na
  • C38-H40-N12-O8-S2.2Na

Molecular Weight

  • 900.9062
 
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Names and Synonyms

Name of Substance

  • Tinopal 5BM

Synonyms

  • 2,2'-Stilbenedisulfonic aicd, 4,4'-bis((4-anilino-6-((2-hydroxyethyl)methylamino)-s-triazin-2-yl)amino)-, disodium salt
  • 4,4'-Bis((4-anilino-6-((2-hydroxyethyl)methylamino)-s-triazin-2-yl)amino)2,2'-stIlbenedisulfonate
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)methylamino)-6-(phenylamino)-1,3 ,5-triazin-2-yl)amine
  • Disodium 4,4'-bis(4-anilino-6-(N-methyl-2-hydroxyethylamino)-1,3,5-triazin-2-yl)-amino)stilbene-2,2'-disulfonate
  • Disodium 4,4'-bis-(2-sulfostyryl)biphenyl
  • EC 237-600-9
  • EINECS 237-600-9
  • HSDB 5059
  • Phorwhite RKH
  • Tinopal 5BM
  • Tinopal 5BM-XC
  • UNII-31F73WR7CZ

Systematic Names

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-((2-hydroxyethyl)methylamino)-s-triazin-2-yl)amino)-, disodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)methylamino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyethyl)methylamino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
  • Disodium 4,4'-bis((6-anilino-4-((2-hydroxyethyl)methylamino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Superlist Name

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-((2-hydroxyethyl)methylamino)-s-triazin-2-yl)amino)-, disodium salt

Registry Numbers

CAS Registry Number

  • 13863-31-5

FDA UNII

  • 31F73WR7CZ

System Generated Number

  • 0013863315

Molecular Formulas

Molecular Formulas

  • C38-H38-N12-O8-S2.2Na
  • C38-H40-N12-O8-S2.2Na

Molecular Formula Fragments

  • C38-H38-N12-O8-S2
  • C38-H40-N12-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H40N12O8S2.2Na/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52;;/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;/q;2*+1/p-2/b14-13+;;

InChIKey

VVYVUOFMPAXVCH-QDBORUFSSA-L

Smiles

c1(c(\C=C\c2c(cc(Nc3nc(nc(n3)Nc3ccccc3)N(CCO)C)cc2)S(=O)(=O)[O-])ccc(c1)Nc1nc(nc(n1)Nc1ccccc1)N(CCO)C)S(=O)(=O)[O-].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   Criticial Reviews in Environmental Control. Vol. 7, Pg. 91, 1977.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   MVC-Report. Vol. 2, Pg. 193, 1973.
rat LD50 oral > 10gm/kg (10000mg/kg)   Criticial Reviews in Environmental Control. Vol. 7, Pg. 91, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.2 (none)   EXP
Water Solubility 0.147 mg/L 25 EST
Vapor Pressure 8.41E-45 mm Hg 25 EST
Atmospheric OH Rate Constant 2.89E-10 cm3/molecule-sec 25 EST

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