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Search term: YTGSYRVSBPFKMQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Bromal | C2HBr3O

Bromal

  • Molecular FormulaC2HBr3O
  • Average mass280.741 Da
  • Monoisotopic mass277.757721 Da
  • ChemSpider ID21106514

More details:

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

115-17-3 [RN]
204-067-9 [EINECS]
AB3237500
Acetaldehyde, 2,2,2-tribromo- [ACD/Index Name]
Bromal
Tribromacetaldehyd [German] [ACD/IUPAC Name]
Tribromoacetaldehyde [ACD/IUPAC Name]
Tribromoacétaldéhyde [French] [ACD/IUPAC Name]
"2,2,2-TRIBROMOACETALDEHYDE"
[115-17-3] [RN]
More...

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

1098614 [DBID]
MFCD00006961 [DBID]
W2WDI7648E [DBID]
HSDB 2041 [DBID]
NSC 66406 [DBID]
NSC66406 [DBID]
T48003_ALDRICH [DBID]
UNII:W2WDI7648E [DBID]
UNII-W2WDI7648E [DBID]
ZINC03860793 [DBID]

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

Density: 2.9±0.1 g/cm3
Boiling Point: 174.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 65.6±0.0 °C
Index of Refraction: 1.622
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.67
ACD/KOC (pH 5.5): 672.87
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.67
ACD/KOC (pH 7.4): 672.87
Polar Surface Area: 17 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 98.5±3.0 cm3

Click to predict properties on the Chemicalize site


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