Cas no 136351-82-1 (Butanoyl chloride, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-)
![Butanoyl chloride, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/136500/136351-82-1x500.png)
136351-82-1 structure
Product Name:Butanoyl chloride, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-
CAS No:136351-82-1
MF:C20H31ClO2
MW:338.911945581436
CID:1240427
PubChem ID:12400600
Update Time:2025-04-20
Butanoyl chloride, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
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- Butanoyl chloride, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-
- 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]butanoyl chloride
- DTXSID50496459
- 136351-82-1
-
- Inchi： 1S/C20H31ClO2/c1-8-16(18(21)22)23-17-10-9-14(12-19(2,3)4)11-15(17)13-20(5,6)7/h9-11,16H,8,12-13H2,1-7H3
- InChI Key： WSAXAWKDUUKXCA-UHFFFAOYSA-N
- SMILES： ClC(C(CC)OC1=CC=C(C=C1CC(C)(C)C)CC(C)(C)C)=O
Computed Properties
- Exact Mass: 338.20143
- Monoisotopic Mass: 338.2012579g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 378
- 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: 7.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Butanoyl chloride, 2-[2,4-bis(2,2-dimethylpropyl)phenoxy]- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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