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Tofacitinib Impurity
[CAS# 1640972-35-5]

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Identification
Name Tofacitinib Impurity
Synonyms 3-[3-[6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
Molecular Structure CAS # 1640972-35-5, Tofacitinib Impurity, 3-[3-[6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
Molecular Formula C16H22N6O
Molecular Weight 314.39
CAS Registry Number 1640972-35-5
SMILES CC1CCN(CC1N(C)C2=NC=NC3=C2CCN3)C(=O)CC#N
Properties
Density 1.2±0.1 g/cm3, Calc.*
Index of Refraction 1.594, Calc.*
Boiling Point 583.2±50.0 ºC (760 mmHg), Calc.*
Flash Point 306.5±30.1 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302-H315-H319-H335    Details
Precautionary Statements P261-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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