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About This Item
Empirical Formula (Hill Notation):
C6H8ClNO
CAS Number:
Molecular Weight:
145.59
Beilstein:
110780
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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.
Application
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
Signal Word
Warning
Hazard Statements
Precautionary Statements
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 Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
204.8 °F - closed cup
Flash Point(C)
96 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Find documentation for the products that you have recently purchased in the Document Library.
An asymmetric isoxazole annulation
Marron BE, et al.
Journal of Heterocyclic Chemistry, 25(4), 1067-1070 (1988)
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)
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