ChemSpider 2D Image | 2LRS185U6K | C20H4Br4Cl4O5

2LRS185U6K

  • Molecular FormulaC20H4Br4Cl4O5
  • Average mass785.671 Da
  • Monoisotopic mass779.554626 Da
  • ChemSpider ID75346

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

C.I. Solvent Red 48
13473-26-2 [RN]
18472-87-2 [RN]
2',4',5',7'-Tetrabrom-4,5,6,7-tetrachlor-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
2',4',5',7'-Tétrabromo-4,5,6,7-tétrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
242-355-6 [EINECS]
2LRS185U6K
D&C Red Dye 27
D&C RED NO. 27
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1277417 [DBID]
C.I. 45410A [DBID]
CCRIS 4905 [DBID]
CI 45410:1 [DBID]
NCGC00091490-01 [DBID]
  • Miscellaneous
    • Chemical Class:

      A xanthene dye that is fluorescein in which the hydrogens at positions 2',4',5' and 7' are replaced by bromo groups, and the hydrogens at positions 4,5,6 and 7 are replaced by chloro groups. It is a red synthetic pigment which is widely used in colored cosmetics (e.g. lipsticks and blushers). ChEBI CHEBI:156496

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.6±0.1 g/cm3
Boiling Point: 759.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 412.8±32.9 °C
Index of Refraction: 1.881
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 8.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1816922.75
ACD/LogD (pH 7.4): 8.14
ACD/BCF (pH 7.4): 552127.88
ACD/KOC (pH 7.4): 252240.02
Polar Surface Area: 76 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 117.3±5.0 dyne/cm
Molar Volume: 301.5±5.0 cm3

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