Cas no 65910-03-4 (Benzene, 2-chloro-1-(dichloromethyl)-4-isocyanato-)
65910-03-4 structure
Product Name:Benzene, 2-chloro-1-(dichloromethyl)-4-isocyanato-
CAS No:65910-03-4
MF:C8H4Cl3NO
MW:236.482459068298
CID:1692228
PubChem ID:71375324
Update Time:2025-04-21
Benzene, 2-chloro-1-(dichloromethyl)-4-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-chloro-1-(dichloromethyl)-4-isocyanato-
- 2-chloro-1-(dichloromethyl)-4-isocyanatobenzene
- 65910-03-4
- DTXSID30798064
-
- Inchi： 1S/C8H4Cl3NO/c9-7-3-5(12-4-13)1-2-6(7)8(10)11/h1-3,8H
- InChI Key： NEXGXEWQSAZMNX-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(Cl)Cl)N=C=O
Computed Properties
- Exact Mass: 234.93602
- Monoisotopic Mass: 234.935847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 4.5
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Benzene, 2-chloro-1-(dichloromethyl)-4-isocyanato- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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