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5-Thiazolecarboxaldehyde

5-Thiazolecarboxaldehyde structure

CAS No:
1003-32-3
Formula:
C4H3NOS
Chemical Name:
5-Thiazolecarboxaldehyde
Synonyms:
5-Thiazolecarboxaldehyde;5-Formylthiazole;1,3-Thiazole-5-carboxaldehyde;1,3-Thiazole-5-carbaldehyde
Categories:
Organic Chemistry > Aldehydes

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Description

White to brown liquid or solid

5-Thiazolecarboxaldehyde Basic Attributes

Molecular Weight：

113.14

Exact Mass：

113.14

DSSTox ID：

DTXSID30378567

HScode：

29341000

Characteristics

PSA：

58.2

XLogP3：

0.7

Density：

1.304

Melting Point：

229 °C (decomp)

Boiling Point：

90-94 °C @ Press: 12 Torr

Flash Point：

98 °C

Refractive Index：

1.5874

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-43-36-22

safety instructions：

26-36/37/39-36/37

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H317-H319

GHS Classification：

|Warning|H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, 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.

5-Thiazolecarboxaldehyde Use and Manufacturing

5-[1-(R*, S*)-hydroxy-3-cyclohexylpropyl]thiazole To a solution of 2-cyclohexylethylmagnesium bromide (40.8 mmol, prepared from the corresponding bromide and magnesium turnings) in 40 mL of ethyl ether at 0 C. was added dropwise, a solution of General procedure: A To a solution of PPh3 (4.0 eq.) in CH2Cl2 (20 ml) was slowly dropped CBr4 (2.0 eq.)/CH2Cl2 (6 ml) solution at 0 C under argon atmosphere. After being stirred for 1 h, the ketone or aldehyde (6.00 mmol) / CH2Cl2 (6 mL) solution was dropped at 0 C and the reaction mixture was stirred overnight. To the reaction mixture was added hexane and then the precipitated solid was filtered. The eluent was concentrated under reduced pressure and the residue was purified by was purified by chromatography on SiO2 to give the corresponding gem-dibromoalkene derivative.

Computed Properties

Molecular Weight:113.14
XLogP3:0.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:112.99353489
Monoisotopic Mass:112.99353489
Topological Polar Surface Area:58.2
Heavy Atom Count:7
Complexity:76.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Hydrogen

Sodium bicarbonate

SODIUM SULFATE

N-Formylmorpholine

Sodium acetate trihydrate

Dimethylformamide

Sodium sulfate

PETROLEUM ETHER

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Thiazole-5-carboxaldehyde

CAS No.: 1003-32-3

Content: 99.00%

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