NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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IUPAC Traditional name
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Synonyms
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CAS Number
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PubChem SID
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PubChem CID
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CHEBI ID
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Chemspider ID
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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2.055
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LogD (pH = 7.4)
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2.055
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Log P
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2.055
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Molar Refractivity
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9.0078 cm3
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Polarizability
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11.829621 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Bioassay(PubChem)
Solubility
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reacts in water
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data source
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soluble in chloroform, CCl4, liquid chlorine and bromine dissolves in nitrobenzene
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data source
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Apperance
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colorless solid
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data source
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Melting Point
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64.05 °C (triple point)
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data source
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Boiling Point
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56.5 °C (sublimes)
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data source
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Flash Point
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Non-flammable
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data source
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Density
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5.09 g/cm3, solid
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data source
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Std enthalpy of formation
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– solid: -(2197,7 ± 1,8) kJ·mol-1– gaseous: -(2148,1 ± 1,8) kJ·mol-1
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data source
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Std molar entropy
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– solid: -430,4 ± 1,5 J·K-1·mol-1– gaseous: -280,4 ± 1,5 J·K-1·mol-1
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data source
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RTECS
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YR4720000
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data source
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European Hazard Symbols
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Dangerous for the environment (N)
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data source
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Very toxic (T+)
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data source
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UN Number
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2978 (<1% 235U) 2977 (>1% 235U)
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data source
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Risk Statements
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R26/28, R33, R51/53
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data source
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Safety Statements
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S1/2, S20/21, S45, S61
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data source
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EU Index
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092-002-00-3
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data source
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DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent