Cas no 1505796-75-7 (2-Bromo-4,5-dimethylthiophene-3-carbonitrile)
1505796-75-7 structure
Product Name:2-Bromo-4,5-dimethylthiophene-3-carbonitrile
CAS No:1505796-75-7
MF:C7H6BrNS
MW:216.098239421844
CID:5695641
PubChem ID:83679825
Update Time:2023-10-14
2-Bromo-4,5-dimethylthiophene-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 1505796-75-7
- 2-Bromo-4,5-dimethylthiophene-3-carbonitrile
- 2-Bromo-4,5-dimethyl-thiophene-3-carbonitrile
- 3-Thiophenecarbonitrile, 2-bromo-4,5-dimethyl-
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- Inchi： 1S/C7H6BrNS/c1-4-5(2)10-7(8)6(4)3-9/h1-2H3
- InChI Key： HHILCJDDEXBLQX-UHFFFAOYSA-N
- SMILES： BrC1=C(C#N)C(C)=C(C)S1
Computed Properties
- Exact Mass: 214.94043g/mol
- Monoisotopic Mass: 214.94043g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 174
- 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: 3.1
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.59±0.1 g/cm3(Predicted)
- Boiling Point: 310.1±42.0 °C(Predicted)
2-Bromo-4,5-dimethylthiophene-3-carbonitrile Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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