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CAS Number: 10557-85-4
4-iodo-3,5-dimethylisoxazole

Structure

4-iodo-3,5-dimethylisoxazole
Name: 4-iodo-3,5-dimethylisoxazole
Synonyms:
General Information
Product Number: 10557854
CAS Registry Number: 10557-85-4
Name:
Isoxazole, 4-​iodo-​3,​5-​dimethyl-
3,​5-​Dimethyl-​4-​iodoisoxazole; 4-​Iodo-​3,​5-​dimethylisoxazole 
Deleted CAS Registry Numbers: 311797-​31-​6
 
Chemical Formula: C5H6INO
Exact Mass: 222.95
Molecular Weight: 223.01
m/z: 222.95 (100.0%), 223.95 (5.8%)
Elemental Analysis: C, 26.93; H, 2.71; I, 56.90; N, 6.28; O, 7.17
 
InChI: InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKey: NMNOXVWRJISEFE-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=NO1)C)I
 
Thermal Properties Value Condition Note
Melting Point 52.5-54 °C   (3)CAS
Melting Point 51.5-53 °C   (4)CAS
Melting Point 51.5-53 °C   (5)CAS
Melting Point 49-52 °C   (6)CAS

Specification

98%

References
  1. (1) Iglesias, Manuel; Tetrahedron Letters 2010, V51(41), P5423-5425 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Morgan, Gilbert T.; Chem. Soc. 1921, V119, P1546-9 CAPLUS
  4. (4) Kochetkov, N. K.; Doklady Akademii Nauk SSSR 1960, V133, P598-601 CAPLUS
  5. (5) Kochetkov, N. K.; Zhurnal Obshchei Khimii 1961, V31, P2326-33 CAPLUS
  6. (6) Gutierrez, Corey D.; Journal of Combinatorial Chemistry 2008, V10(2), P280-284 CAPLUS
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