Cas no 2778-41-8 (Benzene,1,4-bis(1-isocyanato-1-methylethyl)-)
2778-41-8 structure
Product Name:Benzene,1,4-bis(1-isocyanato-1-methylethyl)-
CAS No:2778-41-8
MF:C14H16N2O2
MW:244.289043426514
CID:255974
PubChem ID:17718
Update Time:2025-04-19
Benzene,1,4-bis(1-isocyanato-1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,4-bis(1-isocyanato-1-methylethyl)-
- 1,4-bis(2-isocyanatopropan-2-yl)benzene
- 1,4-BIS(1-ISOCYANATO-1-METHYLETHYL)BENZENE
- AC1L2AJE
- Bis(isocyanatomethyl)durene
- BRN 2741545
- CTK4G0249
- EINECS 220-473-9
- Isocyanic acid, p-phenylenediisopropylidene ester (7CI)
- p-Bis(isopropylisocyanato)benzene
- p-Tetramethylxylylene diisocyanate
- Benzene, 1,4-bis(1-isocyanato-1-methylethyl)-
- NS00028367
- UNII-76D02Q142P
- SCHEMBL28238
- P-TMXDI
- 1,4-bis-(1-isocyanato-1-methylethyl)-benzene
- .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-P-PHENYLENEDIMETHYLENE DIISOCYANATE
- .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-P-XYLYLENE DIISOCYANATE
- Q27266475
- 2778-41-8
- 76D02Q142P
- Isocyanic acid, p-phenylenediisopropylidene ester
- Isocyanic acid, alpha,alpha,alpha',alpha'-tetramethyl-p-xylylene ester
- ISOCYANIC ACID, .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-P-XYLYLENE ESTER
- 1,4-Bis-(1-isocyanato-1-methylethyl)benzene
- DTXSID2073304
-
- Inchi： 1S/C14H16N2O2/c1-13(2,15-9-17)11-5-7-12(8-6-11)14(3,4)16-10-18/h5-8H,1-4H3
- InChI Key： AGJCSCSSMFRMFQ-UHFFFAOYSA-N
- SMILES： O=C=NC(C)(C)C1C=CC(=CC=1)C(C)(C)N=C=O
Computed Properties
- Exact Mass: 244.12128
- Monoisotopic Mass: 244.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 343
- 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: 4.6
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- Density: 1.1079 (rough estimate)
- Melting Point: 79.85°C
- Boiling Point: 387.21°C (rough estimate)
- Refractive Index: 1.5500 (estimate)
- PSA: 58.86
Benzene,1,4-bis(1-isocyanato-1-methylethyl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
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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