Cas no 25550-57-6 (Benzene,isocyanatomethyl-)
Benzene,isocyanatomethyl- structure
Product Name:Benzene,isocyanatomethyl-
Benzene,isocyanatomethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,isocyanatomethyl-
- Isocyanicacid, tolyl ester (6CI,7CI,8CI)
- Toluene isocyanate
- Toluene monoisocyanate
- Tolyl isocyanate
- Benzyl isocyanate
- UNII-8I2LI357GQ
- F2163-0007
- MFCD00009701
- Benzene, isocyanatomethyl-
- NSC118415
- (Isocyanatomethyl)benzene
- EINECS 221-640-9
- 3173-56-6
- D91149
- 25550-57-6
- Benzyl isocyanate, 99%
- 8I2LI357GQ
- SB74529
- W-106880
- benzyl isocynate
- NSC 118415
- GEO-00302
- Isocyanic Acid Benzyl Ester
- phenylmethylisocyanate
- EN300-108000
- Benzene, (isocyanatomethyl)-
- AS-17365
- NS00046247
- Benzylisocyanate
- NSC-118415
- Q27270562
- Isocyanatomethylbenzene
- DTXSID40863116
- 1-(isocyanatomethyl)benzene
- AKOS000265473
- FT-0604983
- BB 0253728
- (Isocyanatomethyl)benzene #
- phenylmethyl isocyanate
- AM85723
- J-650077
- I0426
- SCHEMBL5966
-
- Inchi： 1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
- InChI Key： YDNLNVZZTACNJX-UHFFFAOYSA-N
- SMILES： O=C=NCC1C=CC=CC=1
Computed Properties
- Exact Mass: 133.05281
- Monoisotopic Mass: 133.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 132
- 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: 2.6
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Benzene,isocyanatomethyl- Related Literature
-
1. Antitumour imidazotetrazines. Part 36.1 Conversion of 5-aminoimidazole-4-carboxamide to imidazo[5,1-d?][1,2,3,5]tetrazin-4(3H?)-ones and imidazo[1,5-a][1,3,5]triazin-4(3H?)-ones related in structure to the antitumour agents temozolomide and mitozolomideYongfeng Wang,Richard T. Wheelhouse,Linxiang Zhao,David A. F. Langnel,Malcolm F. G. Stevens J. Chem. Soc. Perkin Trans. 1 1998 1669
-
Amrendra Kumar,Shubham Jaiswal,Narender Tadigoppula Chem. Commun. 2023 59 2970
-
Seon Gye Lee,Keun-Young Choi,Yong-Joo Kim,SuJin Park,Soon W. Lee Dalton Trans. 2015 44 6537
-
Jiaxin Shi,Tianze Zheng,Yao Zhang,Baohua Guo,Jun Xu Polym. Chem. 2021 12 2421
-
E. A. Letts J. Chem. Soc. 1872 25 446
25550-57-6 (Benzene,isocyanatomethyl-) Related Products
- 61924-25-2(3-Methylbenzyl isocyanate)
- 3173-56-6((isocyanatomethyl)benzene)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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