Cas no 37537-32-9 (Benzoic acid, 5-chloro-2-hydroxy-, propyl ester)
37537-32-9 structure
Product Name:Benzoic acid, 5-chloro-2-hydroxy-, propyl ester
CAS No:37537-32-9
MF:C10H11ClO3
MW:214.645542383194
CID:1484587
Update Time:2024-08-24
Benzoic acid, 5-chloro-2-hydroxy-, propyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 5-chloro-2-hydroxy-, propyl ester
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- Inchi： 1S/C10H11ClO3/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6,12H,2,5H2,1H3
- InChI Key： DZLOEMBRVZXYFS-UHFFFAOYSA-N
- SMILES： C(OCCC)(=O)C1=CC(Cl)=CC=C1O
Computed Properties
- Exact Mass: 214.03973
Experimental Properties
- Density: 1.257±0.06 g/cm3(Predicted)
- Boiling Point: 292.5±20.0 °C(Predicted)
- PSA: 46.53
- pka: 7.58±0.43(Predicted)
Benzoic acid, 5-chloro-2-hydroxy-, propyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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