ChemicalBook--->CAS DataBase List--->25629-50-9

25629-50-9

25629-50-9 Structure

25629-50-9 Structure
IdentificationMore
[Name]

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride
[CAS]

25629-50-9
[Synonyms]

3-(2-CHLOROPHENYL)-5-METHYL-4-CHLOROCARBONYL ISOXAZOLE
3-(2-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLE-CARBONYL CHLORIDE
3-(2-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID CHLORIDE
3-(2-CHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBONYL CHLORIDE
LABOTEST-BB LT00848349
3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbonylchlorid
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride
3-(2-Chlorophenyl)-5-methyl-3-phenyl-4-chlorocarbonylisoxazole
3-(O-CHLOROPHENYL)-5-METHYL-4-CHLOROCARBONYLISOXAZOLE
3-(2-chlorophenyl)-5-methyl-4-isoxazolecarbonyl chlorid 3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride 3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride
3-(2-CHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBONYL CHLORIDE, 98
[EINECS(EC#)]

247-137-4
[Molecular Formula]

C11H7Cl2NO2
[MDL Number]

MFCD00020811
[Molecular Weight]

256.08
[MOL File]

25629-50-9.mol
Chemical PropertiesBack Directory
[Appearance]

Cream solid
[Melting point ]

41-42°C
[Boiling point ]

381.7±42.0 °C(Predicted)
[density ]

1.381±0.06 g/cm3(Predicted)
[vapor pressure ]

0.001Pa at 25℃
[form ]

crystalline solid
[pka]

-5.80±0.50(Predicted)
[color ]

White to off-white
[Water Solubility ]

128.2mg/L at 25℃
[Sensitive ]

Moisture Sensitive
[BRN ]

791931
[InChI]

InChI=1S/C11H7Cl2NO2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3
[InChIKey]

BPDBLWKFVXHGFT-UHFFFAOYSA-N
[SMILES]

C(Cl)(C1=C(C)ON=C1C1=CC=CC=C1Cl)=O
[LogP]

2.61 at 25℃
[CAS DataBase Reference]

25629-50-9(CAS DataBase Reference)
[EPA Substance Registry System]

25629-50-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H318
[Precautionary statements ]

P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

3261
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

2934999090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydroxylamine hydrochloride-->Phosphorus pentachloride-->2-Chlorobenzaldehyde
[Preparation Products]

3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride(25629-50-9).msds
Hazard InformationBack Directory
[Chemical Properties]

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride is Cream solid
[Uses]

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride is used for preparing isoxazolyl penicillin derivatives.
[Flammability and Explosibility]

Notclassified
[Synthesis]

To the solution was dropwise added under cooling at -12° to -14°C a solution of 3-(2-chlorophenyl)-5-methylisoxazol-4-carbonyl chloride, which was prepared from 3-(2-chlorophenyl)-5-methylisoxazol-4-carboxylic acid (1.78 g.) and thionyl chloride (10 ml.), in methylene chloride and then stirred for 5 hours. After the reaction, to the solution was added ice-water, and the resulant mixture was washed with water, dilute phosphoric acid, an aqueous solution of sodium bicarbonate and water in turn, and dried over magnesium sulfate.
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride, 98+%(25629-50-9)
[Sigma Aldrich]

25629-50-9(sigmaaldrich)
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