NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5,6-dichloro-1-ethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
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IUPAC Traditional name
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5,6-dichloro-1-ethyl-3H-1,3-benzodiazol-2-one
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Synonyms
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5,6-Dichloro-1-ethyl-1,3-dihydro-2H-benzimidazole-2-one
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DCEBIO
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.78326
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H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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2.755306
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LogD (pH = 7.4)
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2.7553043
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Log P
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2.755306
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Molar Refractivity
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57.4689 cm3
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Polarizability
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21.302044 Å3
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Polar Surface Area
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32.34 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Pharmacology Properties
Product Information
Bioassay(PubChem)
Solubility
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DMSO: >10 mg/mL
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data source
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Apperance
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white to off-white solid
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European Hazard Symbols
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Irritant (Xi)
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data source
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MSDS Link
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German water hazard class
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3
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data source
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Risk Statements
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36/37/38
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data source
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Safety Statements
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26-36
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data source
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GHS Pictograms
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GHS Signal Word
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Warning
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GHS Hazard statements
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H315-H319-H335
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data source
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GHS Precautionary statements
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P261-P305 + P351 + P338
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data source
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Personal Protective Equipment
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dust mask type N95 (US), Eyeshields, Gloves
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data source
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Gene Information
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human ... HTR1A(3350), HTR1B(3351), HTR1D(3352), HTR1E(3354), HTR1F(3355), HTR2A(3356), HTR2B(3357), HTR2C(3358), HTR3A(3359), HTR3B(9177), HTR3C(170572), HTR3D(200909), HTR3E(285242), HTR4(3360), HTR5A(3361), HTR5B(645694), HTR6(3362), HTR7(3363)
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data source
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Purity
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≥98% (HPLC)
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data source
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Empirical Formula (Hill Notation)
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C9H8N2OCl2
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data source
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
D9190
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Biochem/physiol Actions DCEBIO facilitates Cl- secretion in the epithelia by activating K+ and Cl- currents. |
PATENTS
PATENTS
PubChem Patent
Google Patent