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221044-05-9

221044-05-9 Structure

221044-05-9 Structure
IdentificationBack Directory
[Name]

1-(pyrimidin-2-yl)-1H-indole
[CAS]

221044-05-9
[Synonyms]

1-(2-Pyrimidinyl)indole
N-(2-Pyrimidinyl)indole
1-(Pyrimidin-2-yl)indole
2-(1H-Indol-1-yl)pyrimidine
1-(2-Pyrimidinyl)-1H-indole
1-(pyrimidin-2-yl)-1H-indole
l-(pyrimidin-2-yl)-lH-indole
1H-Indole, 1-(2-pyrimidinyl)-
[Molecular Formula]

C12H9N3
[MDL Number]

MFCD28556906
[MOL File]

221044-05-9.mol
[Molecular Weight]

195.22
Chemical PropertiesBack Directory
[Melting point ]

83.0 to 87.0 °C
[Boiling point ]

412.2±28.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[form ]

powder to crystal
[pka]

0.96±0.33(Predicted)
[color ]

White to Orange to Green
[InChI]

InChI=1S/C12H9N3/c1-2-5-11-10(4-1)6-9-15(11)12-13-7-3-8-14-12/h1-9H
[InChIKey]

CNAQMKUJWYJTRY-UHFFFAOYSA-N
[SMILES]

N1(C2=NC=CC=N2)C2=C(C=CC=C2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[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
[HS Code ]

2933.59.1500
Spectrum DetailBack Directory
[Spectrum Detail]

1-(pyrimidin-2-yl)-1H-indole(221044-05-9)1HNMR
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