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1919837-50-5

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1919837-50-5 Structure

1919837-50-5 Structure
IdentificationBack Directory
[Name]

3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
[CAS]

1919837-50-5
[Synonyms]

Baricitinib-006
Baricitinib Impurit
Baricitinib Impurity 34
2-[1-ethylsulfonyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
1-(ethylsulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-3-Azetidineacetonitrile
3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
2-(1-(Ethylsulfonyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile
2-[1-(ethanesulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-3-yl]acetonitrile
[EINECS(EC#)]

213-152-9
[Molecular Formula]

C16H25BN4O4S
[MDL Number]

MFCD30530467
[MOL File]

1919837-50-5.mol
[Molecular Weight]

380.27
Chemical PropertiesBack Directory
[Boiling point ]

572.6±60.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. -20°C
[pka]

2.63±0.19(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C16H25BN4O4S/c1-6-26(22,23)20-11-16(12-20,7-8-18)21-10-13(9-19-21)17-24-14(2,3)15(4,5)25-17/h9-10H,6-7,11-12H2,1-5H3
[InChIKey]

LHTUCYOPHHHUEE-UHFFFAOYSA-N
[SMILES]

N1(S(CC)(=O)=O)CC(N2C=C(B3OC(C)(C)C(C)(C)O3)C=N2)(CC#N)C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Spectrum DetailBack Directory
[Spectrum Detail]

3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-(1919837-50-5)1HNMR
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