Cas no 106809-04-5 (Benzoyl chloride, 4-(5-heptyl-2-pyrimidinyl)-)
106809-04-5 structure
Product Name:Benzoyl chloride, 4-(5-heptyl-2-pyrimidinyl)-
CAS No:106809-04-5
MF:C18H21ClN2O
MW:316.825143575668
CID:1181713
Update Time:2024-08-05
Benzoyl chloride, 4-(5-heptyl-2-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoyl chloride, 4-(5-heptyl-2-pyrimidinyl)-
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- Inchi： 1S/C18H21ClN2O/c1-2-3-4-5-6-7-14-12-20-18(21-13-14)16-10-8-15(9-11-16)17(19)22/h8-13H,2-7H2,1H3
- InChI Key： UXUWXXYMSFPWJY-UHFFFAOYSA-N
- SMILES： C(Cl)(=O)C1=CC=C(C2=NC=C(CCCCCCC)C=N2)C=C1
Computed Properties
- Exact Mass: 316.13443
Experimental Properties
- Density: 1.119±0.06 g/cm3(Predicted)
- Boiling Point: 378.9±34.0 °C(Predicted)
- PSA: 42.85
- pka: 0.65±0.22(Predicted)
Benzoyl chloride, 4-(5-heptyl-2-pyrimidinyl)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jason Wan Lab Chip, 2020,20, 4528-4538
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