Cas no 16502-88-8 (2-Butenoic acid,4,4-dichloro-, (E)- (9CI))
16502-88-8 structure
Product Name:2-Butenoic acid,4,4-dichloro-, (E)- (9CI)
CAS No:16502-88-8
MF:C4H4Cl2O2
MW:154.97935962677
CID:222055
PubChem ID:6433676
Update Time:2025-04-19
2-Butenoic acid,4,4-dichloro-, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,4,4-dichloro-, (E)- (9CI)
- (E)-4,4-dichlorobut-2-enoic acid
- 4,4-Dichlorocrotonic acid
- (E)-4,4-Dichloro-2-butenoic acid
- 4,4-DICHLORO-2-BUTENOIC ACID
- 16502-88-8
- gamma,gamma-dichlorocrotonic acid
-
- Inchi： 1S/C4H4Cl2O2/c5-3(6)1-2-4(7)8/h1-3H,(H,7,8)/b2-1+
- InChI Key： XLGXDNRJBKTMBF-OWOJBTEDSA-N
- SMILES： ClC(/C=C/C(=O)O)Cl
Computed Properties
- Exact Mass: 153.95892
- Monoisotopic Mass: 153.9588348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 109
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.3331
- Melting Point: 100.5°C
- Boiling Point: 214.91°C (rough estimate)
- Refractive Index: 1.4597 (estimate)
- PSA: 37.3
2-Butenoic acid,4,4-dichloro-, (E)- (9CI) Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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