Cas no 14219-05-7 ((5-Methyl-1,3-phenylene)diisocyanate)
14219-05-7 structure
Product Name:(5-Methyl-1,3-phenylene)diisocyanate
CAS No:14219-05-7
MF:C9H6N2O2
MW:174.156141757965
CID:2657887
PubChem ID:14648216
Update Time:2025-04-21
(5-Methyl-1,3-phenylene)diisocyanate Chemical and Physical Properties
Names and Identifiers
-
- (5-Methyl-1,3-phenylene)diisocyanate
- toluene-3,5-diisocyanate
- 3,5-TDI
- 3,5-Diisocyanatotoluene
- 3,5-Tolylenediisocyanate
- 14219-05-7
- DTXSID20943480
- SCHEMBL109084
- 1,3-diisocyanato-5-methylbenzene
- BQHPNDYUVBBCQF-UHFFFAOYSA-N
-
- Inchi： 1S/C9H6N2O2/c1-7-2-8(10-5-12)4-9(3-7)11-6-13/h2-4H,1H3
- InChI Key： BQHPNDYUVBBCQF-UHFFFAOYSA-N
- SMILES： O=C=NC1C=C(C=C(C)C=1)N=C=O
Computed Properties
- Exact Mass: 174.042927438g/mol
- Monoisotopic Mass: 174.042927438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 3.9
- Topological Polar Surface Area: 58.9?2
(5-Methyl-1,3-phenylene)diisocyanate Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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