Cas no 3153-35-3 (Butanoic acid,4-chloro-, propyl ester)
3153-35-3 structure
Product Name:Butanoic acid,4-chloro-, propyl ester
CAS No:3153-35-3
MF:C7H13ClO2
MW:164.629921674728
CID:316706
PubChem ID:123181
Update Time:2025-04-19
Butanoic acid,4-chloro-, propyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid,4-chloro-, propyl ester
- 4-chloro-butyric acid propyl ester
- n-Propyl-4-chlorobutyrate
- Propyl 4-chlorobutanoate
- AKOS005287843
- DTXSID50953512
- Butanoic acid, 4-chloro, propyl ester
- RGFHUYWGQUDWDL-UHFFFAOYSA-N
- 3153-35-3
- SCHEMBL1363658
- Butanoic acid, 4-chloro-, propyl ester
-
- Inchi: 1S/C7H13ClO2/c1-2-6-10-7(9)4-3-5-8/h2-6H2,1H3
- InChI Key: RGFHUYWGQUDWDL-UHFFFAOYSA-N
- SMILES: ClCCCC(=O)OCCC
Computed Properties
- Exact Mass: 164.06049
- Monoisotopic Mass: 164.060407
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 93.6
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 1.9
Experimental Properties
- Density: 1.035
- Boiling Point: 197.4°Cat760mmHg
- Flash Point: 78.7°C
- Refractive Index: 1.43
- PSA: 26.3
Butanoic acid,4-chloro-, propyl ester Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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