| Weight | 145.589 g/mol |
|---|---|
| Formula | C6H8ClNO |
| Hydrogen Acceptors | 2 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 1 |
4-(chloromethyl)-3,5-dimethylisoxazole (19788-37-5)
19788-37-5
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LabBot
- Structural, spectroscopic (FT-IR, FT-Raman, NMR) and computational analysis (DOS, NBO, Fukui) of 3,5-dimethylisoxazole and 4-(chloromethyl)-3,5-dimethylisoxazole: A DFT study (Journal of Theoretical and Computational Chemistry, 2016)
- 4(Chloromethyl)3,5dimethylisoxazole (2001)
- 4-Chloromethyl-3,5-dimethylisoxazole (Fieser and Fieser's Reagents for Organic Synthesis, 2006)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 19788-37-5
-
SMILESCC1=C(C(=NO1)C)CCl
-
InChIKeyNIFAUKBQIAURIM-UHFFFAOYSA-N
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Alternate Names
Estimated Properties
| Boiling Point | 150.58 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 199.01 C | EPI Suite |
| Density | 1.09 g/cm3 | EPA T.E.S.T. |
| Flash Point | 57.41 C | EPA T.E.S.T. |
| Melting Point | 23.85 C | EPI Suite |
| Water Solubility | 18258.1 mg/L | EPA T.E.S.T. |
| Water Solubility | 1655.7 mg/L | EPI Suite |
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