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4-Bromothiazole

4-Bromothiazole structure

CAS No:
34259-99-9
Formula:
C3H2BrNS
Chemical Name:
4-Bromothiazole
Synonyms:
4-Bromothiazole;4-bromo thiazole;4-Bromo-thiazole;4-bromo-1,3-thiazole;Thiazole, 4-bromo-;4-Bromothiazole, 97%;4-bromothiazol;4- bromothiazole;MFCD06657592;zlchem 498
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Bromothiazole Basic Attributes

Molecular Weight：

164.02

Exact Mass：

162.909119

EC Number：

1308068-626-2

DSSTox ID：

DTXSID60376819

HScode：

2934100090

Characteristics

PSA：

41.1

XLogP3：

Appearance：

Clear to slightly turbid colorless to yellow-brownish to pink Solution

Density：

1.9±0.1 g/cm3

Boiling Point：

190°C(lit.)

Flash Point：

102 °C

Refractive Index：

1.605

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-39

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromothiazole Use and Manufacturing

a) Ethanol (30 mL) and a solution of sodium carbonate (8.85 g, 83.5 mmol) in water (33 mL) were added to a mixture of fe/f-butyl 4-[3-(4, 4, 5, 5-tetramethyl-1 , 3, 2- dioxaborolan-2-yl)pyridin-2-yl]piperazine-1 -carboxylate (13.0 g, 33.4 mmol) and 4- bromo-1 , 3-thiazole (6.57 g, 40.1 mmol) in toluene (180 mL). Tetrakis(triphenylphosphine)palladium(0) (2.69 g, 2.33 mmol) was then added, and the reaction mixture was stirred for 12 hours at 90 C. After removal of solvents in vacuo, the residue was purified using silica gel chromatography (Gradient: 0% to 60% ethyl acetate in petroleum ether) to afford the product as a light yellow solid. Yield: 7.00 g, 20.2 mmol, 60%. LCMS m/z 347.1 [M+H]+.The mixture of To a 13×100 mm borosilicate glass heavy wall test tube was added

Computed Properties

Molecular Weight:164.03
XLogP3:2
Hydrogen Bond Acceptor Count:2
Exact Mass:162.90913
Monoisotopic Mass:162.90913
Topological Polar Surface Area:41.1
Heavy Atom Count:6
Complexity:50.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Bromothiazole

CAS No.: 34259-99-9

Content: 99.00%

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