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Valdecoxib Impurity 6
[CAS# 75115-00-3]

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Identification
Name Valdecoxib Impurity 6
Synonyms 3-methyl-4,5-diphenylisoxazole
Molecular Structure CAS # 75115-00-3, Valdecoxib Impurity 6, 3-methyl-4,5-diphenylisoxazole
Molecular Formula C16H13NO
Molecular Weight 235.28
CAS Registry Number 75115-00-3
SMILES CC1=NOC(=C1C2=CC=CC=C2)C3=CC=CC=C3
Properties
Solubility 6.182 mg/L (25 ºC water)
Density 1.1±0.1 g/cm3, Calc.*
Index of Refraction 1.580, Calc.*
Melting point 131.62 ºC
Boiling Point 379.86 ºC, 338.0±21.0 ºC (760 mmHg), Calc.*
Flash Point 99.1±9.7 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302+H312+H332-H315-H319    Details
Precautionary Statements P261-P271-P280-P302+P352-P305+P351+P338    Details
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