NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[2-(4-chlorophenyl)ethyl]-3,3-dimethyl-2-(1H-1,2,4-triazol-1-yl)butan-1-ol
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IUPAC Traditional name
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2-[2-(4-chlorophenyl)ethyl]-3,3-dimethyl-2-(1,2,4-triazol-1-yl)butan-1-ol
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Synonyms
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1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol
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Tebuconazol
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Tebuconazol
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Folicur
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1-(4-氯苯基)-4,4-二甲基-3-(1H-1,2,4-三氮唑-1-基甲基)-3-戊醇
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戊唑醇
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戊唑醇
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CAS Number
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EC 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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14.593706
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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3.6918702
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LogD (pH = 7.4)
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3.692069
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Log P
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3.6920717
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Molar Refractivity
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96.9033 cm3
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Polarizability
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32.9063 Å3
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Polar Surface Area
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50.94 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Flash Point
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>100 °C
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data source
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>212 °F
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data source
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RTECS
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XZ4803270
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data source
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European Hazard Symbols
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Nature polluting (N)
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Show
data source
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Harmful (Xn)
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Show
data source
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UN Number
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3077
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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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Hazard Class
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9
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data source
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Packing Group
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3
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data source
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Risk Statements
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63-22-51/53
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data source
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Safety Statements
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22-36/37-61
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data source
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GHS Pictograms
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data source
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data source
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data source
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GHS Signal Word
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Warning
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data source
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GHS Hazard statements
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H302-H361d-H411
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data source
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GHS Precautionary statements
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P273-P281
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data source
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Personal Protective Equipment
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dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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data source
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Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
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data source
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RID/ADR
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UN 3077 9/PG 3
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data source
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Grade
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analytical standard
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data source
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PESTANAL®, analytical standard
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data source
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Packaging
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ampule of 100 mg
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data source
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Empirical Formula (Hill Notation)
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C16H22ClN3O
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data source
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
32013
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Legal Information PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH |
PATENTS
PATENTS
PubChem Patent
Google Patent