Cas no 54774-99-1 (Propanoic acid, 2,3-dichloro-, 1-methylethyl ester)
54774-99-1 structure
Product Name:Propanoic acid, 2,3-dichloro-, 1-methylethyl ester
CAS No:54774-99-1
MF:C6H10Cl2O2
MW:185.048400402069
CID:353700
PubChem ID:521536
Update Time:2025-04-19
Propanoic acid, 2,3-dichloro-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,3-dichloro-, 1-methylethyl ester
- 2,3-Dichloropropionic acid isopropyl ester
- propan-2-yl 2,3-dichloropropanoate
- Isopropyl 2,3-dichloropropanoate
- Isopropyl 2,3-dichloropropionate
- Isopropyl-alpha,beta-dichloro propionate
- Propionic acid, 2,3-dichloro-, isopropyl ester
- Isopropyl 2,3-dichloropropanoate #
- 54774-99-1
- DTXSID40334674
- DQNKZNXCBULFCV-UHFFFAOYSA-N
- SCHEMBL8924479
-
- Inchi： 1S/C6H10Cl2O2/c1-4(2)10-6(9)5(8)3-7/h4-5H,3H2,1-2H3
- InChI Key： DQNKZNXCBULFCV-UHFFFAOYSA-N
- SMILES： ClC(CCl)C(=O)OC(C)C
Computed Properties
- Exact Mass: 184.0059
- Monoisotopic Mass: 184.0057849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 114
- 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
- XLogP3: 2.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.2010
- Boiling Point: 264.52°C (rough estimate)
- Refractive Index: 1.4470 (estimate)
- PSA: 26.3
Propanoic acid, 2,3-dichloro-, 1-methylethyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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