Cas no 37587-81-8 (Acetic acid,2,2-dichloro-, propyl ester)
37587-81-8 structure
Product Name:Acetic acid,2,2-dichloro-, propyl ester
CAS No:37587-81-8
MF:C5H8Cl2O2
MW:171.021820068359
CID:315689
PubChem ID:123461
Update Time:2025-04-19
Acetic acid,2,2-dichloro-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2-dichloro-, propyl ester
- propyl 2,2-dichloroacetate
- 1-Propanol, dichloroacetate
- Dichloroacetic acid, propyl ester
- Propyl dichloroacetate
- UNII-CXR7Y955QE
- Dichloroacetic acid propyl ester
- Acetic acid, dichloro-, propyl ester
- AHRFMMRLDGAHBM-UHFFFAOYSA-N
- ACETIC ACID, 2,2-DICHLORO-, PROPYL ESTER
- EINECS 253-555-8
- SCHEMBL7557055
- 37587-81-8
- dichloro-acetic acid propyl ester
- Propyl dichloroacetate #
- DTXSID40191022
- NS00030220
- CXR7Y955QE
-
- Inchi： 1S/C5H8Cl2O2/c1-2-3-9-5(8)4(6)7/h4H,2-3H2,1H3
- InChI Key： AHRFMMRLDGAHBM-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OCCC)Cl
Computed Properties
- Exact Mass: 169.99024
- Monoisotopic Mass: 169.99
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 93
- 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: 2.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.241
- Boiling Point: 173.9°Cat760mmHg
- Flash Point: 64.6°C
- Refractive Index: 1.444
- PSA: 26.3
Acetic acid,2,2-dichloro-, propyl ester Related Literature
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1. 369. Physical properties and chemical constitution. Part XXIII. Miscellaneous compounds. Investigation of the so-called co-ordinate or dative link in esters of oxy-acids and in nitro-paraffins by molecular refractivity determinations. atomic, structural, and group parachors and refractivitiesArthur I. Vogel J. Chem. Soc. 1948 1833
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2. Formula index
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S. A. Mumford,J. W. C. Phillips J. Chem. Soc. 1950 75
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