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247316

Sigma-Aldrich

4-Chloromethyl-3,5-dimethylisoxazole

98%

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About This Item

Empirical Formula (Hill Notation):
C6H8ClNO
CAS Number:
Molecular Weight:
145.59
Beilstein/REAXYS Number:
110780
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.486 (lit.)

bp

87-88 °C/8 mmHg (lit.)

density

1.173 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1noc(C)c1CCl

InChI

1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3

InChI key

NIFAUKBQIAURIM-UHFFFAOYSA-N

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General description

4-Chloromethyl-3,5-dimethylisoxazole participates in asymmetric isoxazole annulation reaction[1].

Application

4-Chloromethyl-3,5-dimethylisoxazole has been used in the preparation of:
  • 4(3-oxoalkyl)isoxazole[2]
  • (E)-3,5-dimethyl-4-(2-(thiophene-3-yl)vinyl)isoxazole[3]

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

204.8 °F - closed cup

flash_point_c

96 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Supramolecular assembly in side-chain conjugated thiophene copolymers.
Ananthakrishnan SJ, et al.
Royal Society of Chemistry Advances, 3(22), 8331-8340 (2013)
Transformation of 4-(3-oxoalkyl) isoxazoles into pyridines.
Ohashi M, et al.
Journal of the American Chemical Society, 89(21), 5460-5461 (1967)
An asymmetric isoxazole annulation
Marron BE, et al.
Journal of Heterocyclic Chemistry, 25(4), 1067-1070 (1988)

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