Cas no 2323-82-2 (Butanoic acid,4-chloro-, octyl ester)
2323-82-2 structure
Product Name:Butanoic acid,4-chloro-, octyl ester
CAS No:2323-82-2
MF:C12H23ClO2
MW:234.762823343277
CID:275533
PubChem ID:303099
Update Time:2025-04-19
Butanoic acid,4-chloro-, octyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-chloro-, octyl ester
- octyl 4-chlorobutanoate
- AC1L7209
- AG-E-67602
- Butanoic acid, 4-chloro, octyl ester
- Butyricacid, 4-chloro-, octyl ester (7CI,8CI)
- CTK4F1148
- ENT 33571
- NSC190982
- Octyl 4-chlorobutyrate
- DTXSID70307396
- 2323-82-2
- JLYKWKRZFITWIT-UHFFFAOYSA-N
- SCHEMBL21811903
- NSC-190982
-
- Inchi： 1S/C12H23ClO2/c1-2-3-4-5-6-7-11-15-12(14)9-8-10-13/h2-11H2,1H3
- InChI Key： JLYKWKRZFITWIT-UHFFFAOYSA-N
- SMILES： ClCCCC(=O)OCCCCCCCC
Computed Properties
- Exact Mass: 234.13879
- Monoisotopic Mass: 234.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 11
- Complexity: 149
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.972
- Boiling Point: 292.9°Cat760mmHg
- Flash Point: 131.2°C
- Refractive Index: 1.444
- PSA: 26.3
Butanoic acid,4-chloro-, octyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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