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511-67-1

Basic Information
CAS No.: 511-67-1
Name: 5,5-DIBROMOBARBITURIC ACID
Article Data: 19
Molecular Structure:
Molecular Structure of 511-67-1 (5,5-DIBROMOBARBITURIC ACID)
Formula: C4H2Br2N2O3
Molecular Weight: 285.879
Synonyms: Barbituricacid, 5,5-dibromo- (6CI,7CI,8CI);5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione;Dibromin;NSC 6206;
EINECS: 208-131-7
Density: 2.482 g/cm3
Melting Point: 240-242 °C(lit.)
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39-45
Transport Information: UN 3261 8/PG 2
PSA: 75.27000
LogP: 0.49610
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    5,5-DIBROMOBARBITURIC ACID

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Chemistry

IUPAC Name: 5,5-Dibromo-1,3-diazinane-2,4,6-trione
Following is the structure of 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-dibromo- (CAS NO.511-67-1):
                     
Empirical Formula: C4H2Br2N2O3
Molecular Weight: 285.8783 g/mol
EINECS: 208-131-7
Index of Refraction: 1.63
Molar Refractivity: 41.01 cm3
Molar Volume: 115.1 cm3
Density: 2.482 g/cm3
Melting point: 240-242 °C
Surface Tension of 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-dibromo- (CAS NO.511-67-1): 71.2 dyne/cm
Product Categories of 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-dibromo- (CAS NO.511-67-1): Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; PyrimidinesHeterocyclic Building Blocks
Canonical SMILES: C1(=O)C(C(=O)NC(=O)N1)(Br)Br
InChI: InChI=1S/C4H2Br2N2O3/c5-4(6)1(9)7-3(11)8-2(4)10/h(H2,7,8,9,10,11)
InChIKey: AMATXUCYHHHHHB-UHFFFAOYSA-N

Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 34 
R34:Causes burns.
Safety Statements: 26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III

Specification

 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-dibromo- , its cas register number is 511-67-1. It also can be called 5,5-Dibromobarbituric acid ; and 5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione .