Cas no 34123-50-7 (Benzene,2-chloro-4-isocyanato-1-(1-methylethyl)-)
34123-50-7 structure
Product Name:Benzene,2-chloro-4-isocyanato-1-(1-methylethyl)-
CAS No:34123-50-7
MF:C10H10ClNO
MW:195.645501613617
CID:320927
PubChem ID:118601
Update Time:2025-04-19
Benzene,2-chloro-4-isocyanato-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2-chloro-4-isocyanato-1-(1-methylethyl)-
- 2-chloro-4-isocyanato-1-propan-2-ylbenzene
- 2-Chloro-4-isocyanato-1-(1-methylethyl)benzene
- 2-chloro-4-isocyanato-1-(propan-2-yl)benzene
- 97WZ4C2H5F
- NS00029617
- GS2659
- 2-chloro-4-isocyanato-1-isopropylbenzene
- SCHEMBL9297810
- EINECS 251-834-9
- DTXSID90187713
- 34123-50-7
- Benzene, 2-chloro-4-isocyanato-1-(1-methylethyl)-
-
- Inchi： 1S/C10H10ClNO/c1-7(2)9-4-3-8(12-6-13)5-10(9)11/h3-5,7H,1-2H3
- InChI Key： ATVMYSGNLDWVSC-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(C)C)N=C=O
Computed Properties
- Exact Mass: 195.0452
- Monoisotopic Mass: 195.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 211
- 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
- Density: 1.12
- Boiling Point: 260°Cat760mmHg
- Flash Point: 82.8°C
- Refractive Index: 1.533
- PSA: 29.43
Benzene,2-chloro-4-isocyanato-1-(1-methylethyl)- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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