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Tofacitinib Impurity
[CAS# 1640972-35-5]

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Identification
NameTofacitinib Impurity
Synonyms3-[3-[6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
Molecular StructureCAS # 1640972-35-5, Tofacitinib Impurity
Molecular FormulaC16H22N6O
Molecular Weight314.39
CAS Registry Number1640972-35-5
SMILESCC1CCN(CC1N(C)C2=NC=NC3=C2CCN3)C(=O)CC#N
Properties
Density1.2±0.1 g/cm3, Calc.*
Index of Refraction1.594, Calc.*
Boiling Point583.2±50.0 °C (760 mmHg), Calc.*
Flash Point306.5±30.1 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS07 Warning  Details
Risk StatementsH302-H315-H319-H335  Details
Safety StatementsP261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501  Details
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