Cas no 132845-14-8 (Benzene, 2-chloro-3,4-difluoro-1-isothiocyanato-)
132845-14-8 structure
Product Name:Benzene, 2-chloro-3,4-difluoro-1-isothiocyanato-
CAS No:132845-14-8
MF:C7H2ClF2NS
MW:205.612286090851
CID:1231785
PubChem ID:19890696
Update Time:2025-04-20
Benzene, 2-chloro-3,4-difluoro-1-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-chloro-3,4-difluoro-1-isothiocyanato-
- 3-chloro-1,2-difluoro-4-isothiocyanatobenzene
- 2-chloro-3,4-difluorophenyl isothiocyanate
- 2-Chloro-3,4-difluoro-1-isothiocyanatobenzene
- LJORQUUZMVEXNJ-UHFFFAOYSA-N
- SCHEMBL9694327
- DTXSID90601040
- 132845-14-8
-
- Inchi： 1S/C7H2ClF2NS/c8-6-5(11-3-12)2-1-4(9)7(6)10/h1-2H
- InChI Key： LJORQUUZMVEXNJ-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=1N=C=S)F)F
Computed Properties
- Exact Mass: 204.95656
- Monoisotopic Mass: 204.9564543g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 208
- 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: 4.2
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- PSA: 12.36
Benzene, 2-chloro-3,4-difluoro-1-isothiocyanato- Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
132845-14-8 (Benzene, 2-chloro-3,4-difluoro-1-isothiocyanato-) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
