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Substance Name: Bromcresol green
RN: 76-60-8
UNII: 8YGN0Y942M
InChIKey: FRPHFZCDPYBUAU-UHFFFAOYSA-N

Note

  • An indicator and reagent. It has been used in serum albumin determinations and as a pH indicator.

Classification Codes

  • Indicators and Reagents
  • Mutation Data

Molecular Formula

  • C21-H14-Br4-O5-S

Molecular Weight

  • 698.0186
 
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Names and Synonyms

Results Name

  • Bromcresol green

Name of Substance

  • 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl)phen- ol S,S-dioxide
  • Bromcresol green
  • Bromocresol green
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide

MeSH Heading

  • Bromcresol green

Synonyms

  • 3',3'',5',5''-Tetrabromo-m-cresolsulfonephthalein
  • 5-19-03-00460 (Beilstein Handbook Reference)
  • BCG
  • BCG [dye]
  • BRN 0372527
  • Bromcresol green
  • Bromocresol Green (6CI)
  • EINECS 200-972-8
  • NSC 7817
  • o-Toluenesulfonic acid, alpha-hydroxy-, gamma-sultone
  • Tetrabromo-m-cresolphthalein sulfone
  • UNII-8YGN0Y942M

Systematic Names

  • Bromocresol green
  • m-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-, S,S-dioxide (8CI)
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 76-60-8

FDA UNII

  • 8YGN0Y942M

Other Registry Number

  • 641-19-0

System Generated Number

  • 0000076608

Structure Descriptors

InChI

1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3

InChIKey

FRPHFZCDPYBUAU-UHFFFAOYSA-N

Smiles

C1(c2c(cccc2)S(O1)(=O)=O)(c1c(c(c(O)c(c1)Br)Br)C)c1c(c(c(O)c(c1)Br)Br)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 1600mg/kg (1600mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 38, Pg. 3083, 1996.
rat LD subcutaneous > 1600mg/kg (1600mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 38, Pg. 3083, 1996.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 218.5 deg C   EXP
log P (octanol-water) 7.860 (none)   EST
Atmospheric OH Rate Constant 4.34E-12 cm3/molecule-sec 25 EST

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