Cas no 960069-34-5 (2,4-dibromothiazole)
2,4-dibromothiazole structure
Product Name:2,4-dibromothiazole
CAS No:960069-34-5
MF:C3HBr2NS
MW:243.925899267197
CID:2083470
PubChem ID:101438952
Update Time:2025-04-21
2,4-dibromothiazole Chemical and Physical Properties
Names and Identifiers
-
- 2,4-dibromothiazole
- 2,4-dibromo-5-deuterothiazole
- DB-202474
- CS-20039
- 2,4-Dibromothiazole-5-d
- 960069-34-5
-
- Inchi: 1S/C3HBr2NS/c4-2-1-7-3(5)6-2/h1H/i1D
- InChI Key: MKEJZKKVVUZXIS-MICDWDOJSA-N
- SMILES: BrC1=C([2H])SC(=N1)Br
Computed Properties
- Exact Mass: 242.818
- Monoisotopic Mass: 240.82
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 70
- 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
- Topological Polar Surface Area: 41.1A^2
- XLogP3: 3
Experimental Properties
- Color/Form: Gray white crystalline powder
- Density: 2.324
- Melting Point: 81.8-82.8 oC
- Boiling Point: 242.8 °C at 760 mmHg
- Flash Point: 100.6 °C
- Refractive Index: 1.649?
- PSA: 41.13000
- LogP: 2.66810
2,4-dibromothiazole 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
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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