2-Bromothiazole

HCID 76430

Basic information

CAS
3034-53-5
Standard SMILES
Brc1nccs1
InChIKey
RXNZFHIEDZEUQM-UHFFFAOYSA-N
Molecular formula
C3H2BrNS
Average molar mass
164.03 g/mol
Monoisotopic mass
162.90913

Names & identifiers

Preferred name
2-Bromothiazole
IUPAC
2-bromo-1,3-thiazole
English name
2-Bromothiazole
Molecular formula
C3H2BrNS
Molecular weight
164.02

Names & synonyms

2-Bromothiazole3034-53-5Thiazole, 2-bromo-53KY5HU6FRNSC 91532EINECS 221-229-4NSC-91532DTXSID9062805RefChem:85910DTXCID0038176221-229-4InChI=1/C3H2BrNS/c4-3-5-1-2-6-3/h1-2
Show more names
CL028TZ-Br2-Bromthiazol2-bromo-thiazol2-BROMOTHIOAZOLE
RXNZFHIEDZEUQM-UHFFFAOYSA-N2-Bromo-1,3-thiazole2-bromo-thiazoleMFCD00005316CHEMBL54170382-bromo thiazoleThiazole, bromo-2-Thiazolyl Bromide

Database identifiers

CAS
3034-53-5
PubChem CID
76430
DTXSID
DTXSID9062805
ChEMBL
CHEMBL5417038
UNII
53KY5HU6FR
EC Number
221-229-4
Nikkaji
J101.493E、J690.671K

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
41.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
6

Physicochemical properties

Melting point
171 C · 171 C
Boiling point
171 °C · 171 °C (lit.)
Density
1.82 g/mL · 1.82 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.593(lit.)
Flash point
146 °F · 146 °F
storage temp.
2 · 2-8°C

Safety & regulation

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
tsca
TSCA listed
ridadr
1993
hs_code
29341000
risk_code
36/37/38

Chemistry & industry

Applications · 4 items

DescriptionIt is usually used as the intermediate or raw material to produce various products in the organic synthesis and pharmaceutical industry, such as 2-acetylthiazole, antibiotics, and anticholinergic drugs. Specifically, this chemical can act as the raw material to produce camalexin through reaction with indolylmagnesium iodide.1 Moreover, this substance has been selected as the reactant to prepare the thiazole Grignard reagents and thiazolyllithium compounds, which can be converted into thiazole-2-carboxylic acid via a halogen-metal exchange reaction.2, 3 In addition, 2-bromothiazole has been used to synthesize N-aryl aminothiazoles, which are found to function as the inhibitors of cyclin-dependent kinases.4 Besides, this compound may be involved in the synthesis of ethynylthiazoles that exhibits a desirable anti-inflammatory activity.5

UsesAryl halide used to N-arylate 5- and 7-azaindoles.1 Copper-catalyzed cyanation provides 2-cyanothiazole.2

Uses2-Bromothiazole, is intended used for research purpose only. It is also used as Aryl halide which are used to N-arylate 5- and 7-azaindoles. Copper-catalyzed cyanation provides 2-cyanothiazole

Uses2-Bromothiazole is a heterocyclic S compound to induce base-pair substitution and having mutagenic activity.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
枣庄九星生物科技有限公司0632-3759569 13589608009

Related reactions

591 records

Compound notes

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