Cas no 50694-84-3 (1-Chloro-2,4-diisocyanato-3-methylbenzene)
50694-84-3 structure
Product Name:1-Chloro-2,4-diisocyanato-3-methylbenzene
CAS No:50694-84-3
MF:C9H5ClN2O2
MW:208.601200819016
CID:2829453
PubChem ID:14952483
Update Time:2025-04-21
1-Chloro-2,4-diisocyanato-3-methylbenzene Chemical and Physical Properties
Names and Identifiers
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- 1-Chloro-2,4-diisocyanato-3-methylbenzene
- 50694-84-3
- SCHEMBL9063336
- DTXSID40565981
-
- Inchi： 1S/C9H5ClN2O2/c1-6-8(11-4-13)3-2-7(10)9(6)12-5-14/h2-3H,1H3
- InChI Key： XJBSZQGDAPVURO-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(C)=C1N=C=O)N=C=O
Computed Properties
- Exact Mass: 208.0039551g/mol
- Monoisotopic Mass: 208.0039551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 295
- 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: 58.9?2
1-Chloro-2,4-diisocyanato-3-methylbenzene Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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