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19788-37-5

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19788-37-5 Structure

19788-37-5 Structure

Identification	More
[Name] 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE
[CAS] 19788-37-5
[Synonyms] 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE AKOS BC-3064 BUTTPARK 99\08-44 IFLAB-BB F1915-0021 ISOXAZOLE, 4-(CHLOROMETHYL)-3,5-DIMETHYL- TIMTEC-BB SBB004107 4-(chloromethyl)-3,5-dimethyl-isoxazol 3,5-Dimethyl-4-chloromethyl isoxazole
[EINECS(EC#)] 243-312-4
[Molecular Formula] C6H8ClNO
[MDL Number] MFCD00003154
[Molecular Weight] 145.59
[MOL File] 19788-37-5.mol

Chemical Properties	Back Directory
[Appearance] Colorless to yellow liquid
[Melting point ] 88-90°C
[Boiling point ] 87-88 °C/8 mmHg (lit.)
[density ] 1.173 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.486(lit.)
[Fp ] 204 °F
[storage temp. ] 0-6°C
[form ] clear liquid
[pka] -1.73±0.28(Predicted)
[color ] Light yellow to Brown
[BRN ] 110780
[InChI] InChI=1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
[InChIKey] NIFAUKBQIAURIM-UHFFFAOYSA-N
[SMILES] O1C(C)=C(CCl)C(C)=N1
[CAS DataBase Reference] 19788-37-5(CAS DataBase Reference)
[EPA Substance Registry System] Isoxazole, 4-(chloromethyl)-3,5-dimethyl- (19788-37-5)

Safety Data	Back Directory
[Hazard Codes ] Xn,Xi
[Risk Statements ] R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin . R37/38:Irritating to respiratory system and skin . R36:Irritating to the eyes.
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing .
[RIDADR ] UN 3334
[WGK Germany ] 3
[Hazard Note ] Irritant
[TSCA ] Yes
[HazardClass ] IRRITANT
[HS Code ] 29349990
[Storage Class] 10 - Combustible liquids
[Hazard Classifications] Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Raw materials And Preparation Products	Back Directory
[Raw materials] Zinc chloride-->Paraformaldehyde-->Dichloroethane-->3,5-Dimethylisoxazole
[Preparation Products] 3,5-DIMETHYLISOXAZOLE-4-CARBOXYLIC ACID

Hazard Information	Back Directory
[Chemical Properties] Colorless to yellow liquid
[Uses] 4-Chloromethyl-3,5-dimethylisoxazole has been used in the preparation of: 4(3-oxoalkyl)isoxazole (E)-3,5-dimethyl-4-(2-(thiophene-3-yl)vinyl)isoxazole
[Application] 4-(Chloromethyl)-3,5-dimethylisoxazole is an annulation reagent used for the construction of cyclohexenones in the syntheses of steroids, terpenes, and alkaloids.
[General Description] 4-Chloromethyl-3,5-dimethylisoxazole participates in asymmetric isoxazole annulation reaction.
[storage] Handling, Storage, and Precautions of 4-(Chloromethyl)-3,5-dimethylisoxazole: light-sensitive lachrymator; refrigerate; handle and store under nitrogen.

Spectrum Detail	Back Directory
[Spectrum Detail] 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE(19788-37-5)MS 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE(19788-37-5)¹HNMR 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE(19788-37-5)¹³CNMR 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE(19788-37-5)IR1 4-(CHLOROMETHYL)-3,5-DIMETHYLISOXAZOLE(19788-37-5)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 4-(Chloromethyl)-3,5-dimethylisoxazole, 96%(19788-37-5)
[Alfa Aesar] 4-Chloromethyl-3,5-dimethylisoxazole, 97%(19788-37-5)
[TCI AMERICA] 4-(Chloromethyl)-3,5-dimethylisoxazole,>95.0%(GC)(19788-37-5)

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