Cas no 25562-43-0 (Benzoic acid,2-[(4-chlorophenyl)seleno]-)
![Benzoic acid,2-[(4-chlorophenyl)seleno]- structure](https://ossimg.kuujia.com/scimg/26000/25562-43-0x500.png)
25562-43-0 structure
Product Name:Benzoic acid,2-[(4-chlorophenyl)seleno]-
CAS No:25562-43-0
MF:C13H9ClO2S2
MW:296.792360067368
CID:274149
PubChem ID:33091
Update Time:2025-04-19
Benzoic acid,2-[(4-chlorophenyl)seleno]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[(4-chlorophenyl)seleno]-
- 2-[(4-chlorophenyl)disulfanyl]benzoic acid
- o-((p-Chlorophenyl)dithio)benzoic acid
- BENZOIC ACID, o-((p-CHLOROPHENYL)DITHIO)-
- DTXSID00180255
- 25562-43-0
-
- Inchi： 1S/C13H9ClO2S2/c14-9-5-7-10(8-6-9)17-18-12-4-2-1-3-11(12)13(15)16/h1-8H,(H,15,16)
- InChI Key： KVCRNYQZAMPNQU-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)SSC1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 295.97337
- Monoisotopic Mass: 295.973249
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 280
- 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: 87.9
- XLogP3: 4.2
Experimental Properties
- Density: 1.48
- Boiling Point: 432.7°Cat760mmHg
- Flash Point: 215.5°C
- Refractive Index: 1.714
- PSA: 37.3
Benzoic acid,2-[(4-chlorophenyl)seleno]- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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