Cas no 4998-28-1 (Benzene,1-chloro-2,4-diisocyanato-)
4998-28-1 structure
Product Name:Benzene,1-chloro-2,4-diisocyanato-
CAS No:4998-28-1
MF:C8H3ClN2O2
MW:194.574620485306
CID:335224
PubChem ID:350502
Update Time:2025-04-19
Benzene,1-chloro-2,4-diisocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-chloro-2,4-diisocyanato-
- 1-chloro-2,4-diisocyanatobenzene
- NSC-511730
- DTXSID70325575
- 4998-28-1
- 4-chloro-1,3-phenylene diisocyanate
- NSC511730
- SCHEMBL49899
- SZBXTBGNJLZMHB-UHFFFAOYSA-N
-
- Inchi： 1S/C8H3ClN2O2/c9-7-2-1-6(10-4-12)3-8(7)11-5-13/h1-3H
- InChI Key： SZBXTBGNJLZMHB-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=C1N=C=O)N=C=O
Computed Properties
- Exact Mass: 193.988305
- Monoisotopic Mass: 193.988305
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 269
- 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
- Topological Polar Surface Area: 58.9
- XLogP3: 4.2
Experimental Properties
- Density: 1.33
- Boiling Point: 287.7°Cat760mmHg
- Flash Point: 116.8°C
- Refractive Index: 1.589
Benzene,1-chloro-2,4-diisocyanato- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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