Cas no 9052-50-0 (Oxirane, methyl-, polymer with 1,3-diisocyanatomethylbenzene and oxirane)
9052-50-0 structure
Product Name:Oxirane, methyl-, polymer with 1,3-diisocyanatomethylbenzene and oxirane
CAS No:9052-50-0
MF:C14H16N2O4
MW:276.287843704224
CID:797767
PubChem ID:165770
Update Time:2025-04-19
Oxirane, methyl-, polymer with 1,3-diisocyanatomethylbenzene and oxirane Chemical and Physical Properties
Names and Identifiers
-
- Oxirane, methyl-, polymer with 1,3-diisocyanatomethylbenzene and oxirane
- 1,3-diisocyanato-2-methyl-benzene, 2-methyloxirane, oxirane
- 103479-07-8
- 9052-50-0
- 60787-80-6
- 1,3-diisocyanato-2-methylbenzene;2-methyloxirane;oxirane
-
- Inchi： 1S/C9H6N2O2.C3H6O.C2H4O/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-3-2-4-3;1-2-3-1/h2-4H,1H3;3H,2H2,1H3;1-2H2
- InChI Key： LWKPLEHMZWXLOJ-UHFFFAOYSA-N
- SMILES： O1CC1C.O1CC1.O=C=NC1C=CC=C(C=1C)N=C=O
Computed Properties
- Exact Mass: 276.111
- Monoisotopic Mass: 276.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 276
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 83.9A^2
Experimental Properties
- Boiling Point: 248.4oC at 760mmHg
- Flash Point: 110.5oC
- LogP: 2.35130
Oxirane, methyl-, polymer with 1,3-diisocyanatomethylbenzene and oxirane Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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