Cas no 16396-05-7 (Carbamic acid,(2-chloroethyl)-, isobutyl ester (8CI))
16396-05-7 structure
Product Name:Carbamic acid,(2-chloroethyl)-, isobutyl ester (8CI)
CAS No:16396-05-7
MF:C7H14ClNO2
MW:179.644561290741
CID:193019
PubChem ID:329724
Update Time:2025-04-19
Carbamic acid,(2-chloroethyl)-, isobutyl ester (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,(2-chloroethyl)-, isobutyl ester (8CI)
- 2-methylpropyl N-(2-chloroethyl)carbamate
- DTXSID80317289
- NSC314039
- AKOS008961241
- NSC-314039
- 16396-05-7
-
- Inchi： 1S/C7H14ClNO2/c1-6(2)5-11-7(10)9-4-3-8/h6H,3-5H2,1-2H3,(H,9,10)
- InChI Key： QPDRABWFPJCMQH-UHFFFAOYSA-N
- SMILES： ClCCNC(=O)OCC(C)C
Computed Properties
- Exact Mass: 179.07142
- Monoisotopic Mass: 179.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 117
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- Density: 1.068
- Boiling Point: 253.7°Cat760mmHg
- Flash Point: 107.2°C
- Refractive Index: 1.443
- PSA: 38.33
Carbamic acid,(2-chloroethyl)-, isobutyl ester (8CI) Related Literature
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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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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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