4-(Chloromethyl)-3,5-dimethylisoxazole
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4-(Chloromethyl)-3,5-dimethylisoxazole
structure -
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CAS No:
19788-37-5
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Formula:
C6H8ClNO
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Chemical Name:
4-(Chloromethyl)-3,5-dimethylisoxazole
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Synonyms:
Isoxazole,4-(chloromethyl)-3,5-dimethyl-;4-(Chloromethyl)-3,5-dimethylisoxazole;3,5-Dimethyl-4-chloromethylisoxazole;(3,5-Dimethylisoxazol-4-yl)methyl chloride;2412579-44-1
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CAS No:
4-(Chloromethyl)-3,5-dimethylisoxazole Basic Attributes
145.59
145.59
110780
243-312-4
DTXSID0066531
29349990
Characteristics
26
1.6
Colorless to yellow liquid
1.173 g/cm3 @ Temp: 20 °C
88-90°C
87-88 °C @ Press: 8 Torr
204 °F
n 20/D 1.486(lit.)
0-6°C
0.167mmHg at 25°C
Safety Information
IRRITANT
UN 3334
3
20/21/22-36/37/38-37/38-36
26-36
Xn,Xi
Irritant
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Warning|H302 (88.64%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(Chloromethyl)-3,5-dimethylisoxazole Use and Manufacturing
Mix 3, 5-dimethylisoxazole, paraformaldehyde, anhydrous zinc chloride and dichloroethane, pass hydrogen chloride gas, and then heat to reflux for 3h. The reactant was poured into water, neutralized with potassium carbonate, and extracted with chloroform. The extract was first distilled to recover 3, 5-dimethylisoxazole, and then distilled under reduced pressure. The 87-88°C (1.07kPa) fraction was collected as the finished product, and the yield was 30%.
Organic synthesis intermediate.
Isoxazole, 4-(chloromethyl)-3,5-dimethyl-: INACTIVE
Computed Properties
Molecular Weight:145.59
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:145.0294416
Monoisotopic Mass:145.0294416
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(Chloromethyl)-3,5-dimethylisoxazole
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