ChemSpider 2D Image | Bromocresol Green | C21H14Br4O5S

Bromocresol Green

  • Molecular FormulaC21H14Br4O5S
  • Average mass698.014 Da
  • Monoisotopic mass693.729492 Da
  • ChemSpider ID6209

More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3',3",5',5"-tetrabromo-m-cresolsulfonapthalein
3,3',5,5'-Tetrabromo-m-cresolsulfonphthalein
3′,3′′,5′,5′′-Tetrabromo-m-cresolsulfonephthalein
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis(2,6-dibrom-3-methylphenol) [German] [ACD/IUPAC Name]
4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-methylphenol) [ACD/IUPAC Name]
4,4'-(1,1-Dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromo-3-méthylphénol) [French] [ACD/IUPAC Name]
4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methylphenol] S,S-Dioxide
a,a-Bis(3,5-dibromo-4-hydroxy-o-tolyl)-a-hydroxytoluenesulfonic Acid g-Sultone
BBOT
Bromcresol Green
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

02559_FLUKA [DBID]
114359_SIAL [DBID]
17470_FLUKA [DBID]
32742_RIEDEL [DBID]
AIDS030025 [DBID]
AIDS-030025 [DBID]
B0381_SIAL [DBID]
BBOT 150 [DBID]
BRN 0372527 [DBID]
NSC 7817 [DBID]
More...
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      225 °C (Decomposes) Alfa Aesar
      225 °C Oxford University Chemical Safety Data (No longer updated) More details
      199 °C Oxford University Chemical Safety Data (No longer updated) More details
      225 °C (Decomposes) Alfa Aesar A17090
      225 °C Jean-Claude Bradley Open Melting Point Dataset 15408
      218.5 °C Jean-Claude Bradley Open Melting Point Dataset 21237
      225 °C (Decomposes) SynQuest 6663-9-01
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      light yellow-green crystals Oxford University Chemical Safety Data (No longer updated) More details
      tan to yellow crystals Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 > 10000 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A17090
      IRRITANT Matrix Scientific 099670
      Irritant SynQuest 6663-9-01, 82559
      P261; P262 Biosynth B-7890

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.1±0.1 g/cm3
Boiling Point: 626.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 332.4±31.5 °C
Index of Refraction: 1.716
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 2171.75
ACD/KOC (pH 5.5): 2423.14
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 15.21
Polar Surface Area: 92 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 337.1±3.0 cm3

Click to predict properties on the Chemicalize site





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