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5-Bromothiazole

5-Bromothiazole structure

CAS No:
3034-55-7
Formula:
C3H2BrNS
Chemical Name:
5-Bromothiazole
Synonyms:
5-BROMOTHIAZOLE;Thiazole,5-bromo-;5-BROMOTHIAZOLE,98%;5-BroMothiazole95%;5-Bromo-1,3-thiazole,tech
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-Bromothiazole Basic Attributes

Molecular Weight：

164.02

Exact Mass：

162.909119

DSSTox ID：

DTXSID60338053

HScode：

2934100090

Characteristics

PSA：

41.1

XLogP3：

Density：

1.9±0.1 g/cm3

Melting Point：

131-132 °C(Solv: ligroine (8032-32-4))

Boiling Point：

197.4°C at 760 mmHg

Flash Point：

73.2±19.8 °C

Refractive Index：

1.605

Water Solubility：

Soluble in water.

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

R22;R37/38;R41;R43

safety instructions：

S26-S36/37/39

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H317-H318-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromothiazole Use and Manufacturing

To a solution of 2-amino-5-bromothiazole (12.58g, 70mmol) in a mixture of phosphoric acid (106ml of an 86% solution in water), and cone, nitric acid (19.2ml) cooled at - 50C was added over 45 mins a solution of sodium nitrite (7.59g, 1 lOmmol) in water (26ml). 30 After the addition was complete the mixture was stirred at -50C for 15 mins, then hypophosphorous acid (38.8ml) added dropwise over 30 mins keeping the temperature below O0C. The mixture was stirred at O0C for 150 mins then allowed to warm to room temperature overnight. The mixture was poured into a solution of NaOH (85g) in water (400ml). 5N NaOH EPO A mixture of ferf-buty 2-(4, 4, 5, 5-tetramethyl-1 , 3, 2-dioxaborolan-2-yl)-1 H-indole-1 -carboxylate (4.20 g, 12.2 mmol), A mixture of Step 1: Preparation of ethyl 5-thiazol-5-ylisoxazole-3-carboxylate A mixture of ethyl 5-tributylstannylisoxazole-3-carboxylate (1.00 g, 2.32 mmol),

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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