Cas no 106549-00-2 (Benzoyl chloride, 4-(5-ethyl-2-pyrimidinyl)-)
106549-00-2 structure
Product Name:Benzoyl chloride, 4-(5-ethyl-2-pyrimidinyl)-
CAS No:106549-00-2
MF:C13H11ClN2O
MW:246.69224190712
CID:1178108
Update Time:2024-08-05
Benzoyl chloride, 4-(5-ethyl-2-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoyl chloride, 4-(5-ethyl-2-pyrimidinyl)-
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- Inchi： 1S/C13H11ClN2O/c1-2-9-7-15-13(16-8-9)11-5-3-10(4-6-11)12(14)17/h3-8H,2H2,1H3
- InChI Key： MXLITYZEQFMTDI-UHFFFAOYSA-N
- SMILES： C(Cl)(=O)C1=CC=C(C2=NC=C(CC)C=N2)C=C1
Computed Properties
- Exact Mass: 246.05613
Experimental Properties
- Density: 1.231±0.06 g/cm3(Predicted)
- Boiling Point: 300.5±34.0 °C(Predicted)
- PSA: 42.85
- pka: 0.58±0.22(Predicted)
Benzoyl chloride, 4-(5-ethyl-2-pyrimidinyl)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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