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1-(Thiazol-4-yl)ethanone

1-(Thiazol-4-yl)ethanone structure

CAS No:
38205-66-2
Formula:
C5H5NOS
Chemical Name:
1-(Thiazol-4-yl)ethanone
Synonyms:
Ethanone,1-(4-thiazolyl)-;1-(4-Thiazolyl)ethanone;4-Acetylthiazole;Ketone,methyl 4-thiazolyl;Methyl 4-thiazolyl ketone;1-(Thiazol-4-yl)ethanone;1-(1,3-Thiazol-4-yl)ethan-1-one;1-(1,3-Thiazol-4-yl)ethanone
Categories:
Chemical Reagents > Organic Reagents

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1-(Thiazol-4-yl)ethanone Basic Attributes

Molecular Weight：

127.1643

Exact Mass：

127.16

DSSTox ID：

DTXSID90391676

HScode：

2934100090

Characteristics

PSA：

58.2

XLogP3：

Density：

1.2±0.1 g/cm3

Melting Point：

56 °C @ Solvent: Ligroine

Boiling Point：

220℃

Flash Point：

87℃

Refractive Index：

1.545

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-(Thiazol-4-yl)ethanone Use and Manufacturing

C) 1-Thiazol-4-yl-ethanone (4). A mixture of 3 (2.4 g, 12.4 mmol) and 4 mL of 5percent HCl in 40 mL of THF were stirred at rt for 1 h. The mixture was diluted with ether and washed with sat'd NaHCO3 and dried with Na2SO4 and concentrated in vacuo to give 1.44 g (94percent) of 4 as an oil that was used directly for the next step.Preparation 96C; 1 -(thiazol-4-vOethanone; Methylmagnesium iodide (109 m L of 3M in ether, 325 mmol) was added dropwise at0

Computed Properties

Molecular Weight:127.17
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:127.00918496
Monoisotopic Mass:127.00918496
Topological Polar Surface Area:58.2
Heavy Atom Count:8
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethanone, 1-(4-thiazolyl)- (9CI)

CAS No.: 38205-66-2

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38205-66-2 1-(1,3-thiazol-4-yl)ethanone

CAS No.: 38205-66-2

Grade: Industrial Grade

Content: 95%

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