Cas no 87039-70-1 (Benzoyl chloride, 4-[(diethylamino)carbonyl]-)
![Benzoyl chloride, 4-[(diethylamino)carbonyl]- structure](https://ossimg.kuujia.com/scimg/87500/87039-70-1x500.png)
87039-70-1 structure
Product Name:Benzoyl chloride, 4-[(diethylamino)carbonyl]-
CAS No:87039-70-1
MF:C12H14ClNO2
MW:239.698062419891
CID:659680
PubChem ID:13172922
Update Time:2025-04-19
Benzoyl chloride, 4-[(diethylamino)carbonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride, 4-[(diethylamino)carbonyl]-
- 4-(diethylcarbamoyl)benzoyl chloride
- DTXSID20524652
- 87039-70-1
-
- Inchi： 1S/C12H14ClNO2/c1-3-14(4-2)12(16)10-7-5-9(6-8-10)11(13)15/h5-8H,3-4H2,1-2H3
- InChI Key： JLMYOIVJDHYQGR-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)C(N(CC)CC)=O)=O
Computed Properties
- Exact Mass: 239.0713064g/mol
- Monoisotopic Mass: 239.0713064g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 256
- 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: 1.8
- Topological Polar Surface Area: 37.4?2
Benzoyl chloride, 4-[(diethylamino)carbonyl]- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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