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Substance Name: Bromcresol purple
RN: 115-40-2
UNII: 201C22C3EC
InChIKey: ABIUHPWEYMSGSR-UHFFFAOYSA-N

Note

  • An indicator and reagent. It has been used for several purposes including the determination of serum albumin concentrations

Molecular Formula

  • C21-H16-Br2-O5-S

Molecular Weight

  • 540.2264
 

Classification Code

  • Indicators and Reagents
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Names and Synonyms

Name of Substance

  • Bromcresol purple

MeSH Heading

  • Bromcresol purple

Synonyms

  • Bromcresol purple
  • EINECS 204-087-8
  • HSDB 7729
  • NSC 374134
  • UNII-201C22C3EC

Systematic Names

  • Bromocresol purple
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl-, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 115-40-2

FDA UNII

  • 201C22C3EC

Other Registry Numbers

  • 518-50-3
  • 644950-41-4
  • 99792-85-5

System Generated Number

  • 0000115402

Structure Descriptors

InChI

1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3

InChIKey

ABIUHPWEYMSGSR-UHFFFAOYSA-N

Smiles

C1(c2c(S(=O)(=O)O1)cccc2)(c1cc(c(c(c1)Br)O)C)c1cc(c(c(c1)Br)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 241.5 deg C   EXP
log P (octanol-water) 6.080 (none)   EST
Atmospheric OH Rate Constant 1.12E-11 cm3/molecule-sec 25 EST

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