Cas no 55360-12-8 (Propanoic acid,2-chloro-, 2-propyn-1-yl ester)
55360-12-8 structure
Product Name:Propanoic acid,2-chloro-, 2-propyn-1-yl ester
CAS No:55360-12-8
MF:C6H7ClO2
MW:146.571581125259
CID:373096
Update Time:2024-01-29
Propanoic acid,2-chloro-, 2-propyn-1-yl ester Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid,2-chloro-, 2-propyn-1-yl ester
- prop-2-ynyl-2-chloropropionate
- 2-Chloropropionic acid 2-propynyl ester
- 2-Chloropropionic acid propargyl ester
- Propanoic acid, 2-chloro-, 2-propyn-1-yl ester
- 2-Propyn-1-yl 2-chloropropanoate
-
- Inchi： 1S/C6H7ClO2/c1-3-4-9-6(8)5(2)7/h1,5H,4H2,2H3
- InChI Key： IOJGKOMZXQERIZ-UHFFFAOYSA-N
- SMILES： C(OCC#C)(=O)C(Cl)C
Computed Properties
- Exact Mass: 146.01351
- Monoisotopic Mass: 186.044757
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
Experimental Properties
- Boiling Point: 236.5°C at 760 mmHg
- Flash Point: 96.8°C
- PSA: 26.3
Propanoic acid,2-chloro-, 2-propyn-1-yl ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
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