Cas no 206761-88-8 (Benzene,1,2,3,4-tetrachloro-5-isothiocyanato-)
206761-88-8 structure
Product Name:Benzene,1,2,3,4-tetrachloro-5-isothiocyanato-
CAS No:206761-88-8
MF:C7HCl4NS
MW:272.966536283493
CID:241721
PubChem ID:4677634
Update Time:2025-04-19
Benzene,1,2,3,4-tetrachloro-5-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,3,4-tetrachloro-5-isothiocyanato-
- 1,2,3,4-tetrachloro-5-isothiocyanatobenzene
- 2,3,4,5-Tetrachlorophenylisothiocyanate
- 2,3']BITHIOPHENYL-5-CARBOXYLIC ACID
- Benzene,1,2,3,4-tetrachloro-5-isothiocyanato
- 206761-88-8
- FT-0609339
- NUNOYNAFGFABBD-UHFFFAOYSA-N
- DTXSID60405476
- 2,3,4,5-TETRACHLOROPHENYL ISOTHIOCYANATE
- SCHEMBL1457299
-
- Inchi: 1S/C7HCl4NS/c8-3-1-4(12-2-13)6(10)7(11)5(3)9/h1H
- InChI Key: NUNOYNAFGFABBD-UHFFFAOYSA-N
- SMILES: ClC1C(=C(C(=CC=1N=C=S)Cl)Cl)Cl
Computed Properties
- Exact Mass: 270.85800
- Monoisotopic Mass: 270.858381g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 231
- 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: 5.8
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- Density: 1.63
- Boiling Point: 373.5°C at 760 mmHg
- Flash Point: 179.7°C
- Refractive Index: 1.649
- PSA: 44.45000
- LogP: 5.03450
Benzene,1,2,3,4-tetrachloro-5-isothiocyanato- Security Information
- Safety Instruction: S26-S36/37/39
- Safety Term:S26;S36/37/39
- Risk Phrases:R20/21/22; R36/37/38
Benzene,1,2,3,4-tetrachloro-5-isothiocyanato- Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
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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