Cas no 491850-55-6 (4-Methyl-2-(trifluoromethyl)benzenesulfonyl chloride)
491850-55-6 structure
Product Name:4-Methyl-2-(trifluoromethyl)benzenesulfonyl chloride
CAS No:491850-55-6
MF:C8H6ClF3O2S
MW:258.645250797272
CID:2653013
PubChem ID:129961220
Update Time:2025-04-21
4-Methyl-2-(trifluoromethyl)benzenesulfonyl chloride Chemical and Physical Properties
Names and Identifiers
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- DTXSID701219978
- 4-Methyl-2-(trifluoromethyl)benzenesulfonyl chloride
- 491850-55-6
-
- Inchi： 1S/C8H6ClF3O2S/c1-5-2-3-7(15(9,13)14)6(4-5)8(10,11)12/h2-4H,1H3
- InChI Key： JCDDIDIKCBCYTL-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC(C)=CC=1C(F)(F)F)(=O)=O
Computed Properties
- Exact Mass: 257.9729128Da
- Monoisotopic Mass: 257.9729128Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 320
- 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: 3.2
- Topological Polar Surface Area: 42.5?2
4-Methyl-2-(trifluoromethyl)benzenesulfonyl chloride Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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