4-iodo-3,5-dimethylisoxazole - CAS 10557-85-4
Catalog: |
BB001669 |
Product Name: |
4-iodo-3,5-dimethylisoxazole |
CAS: |
10557-85-4 |
Synonyms: |
4-iodo-3,5-dimethylisoxazole; 4-iodo-3,5-dimethyl-1,2-oxazole |
IUPAC Name: | 4-iodo-3,5-dimethyl-1,2-oxazole |
Description: | 4-iodo-3,5-dimethylisoxazole (CAS# 10557-85-4) is a useful research chemical. |
Molecular Weight: | 223.01 |
Molecular Formula: | C5H6INO |
Canonical SMILES: | CC1=C(C(=NO1)C)I |
InChI: | InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3 |
InChI Key: | NMNOXVWRJISEFE-UHFFFAOYSA-N |
Boiling Point: | 239.2 °C at 760 mmHg |
Melting Point: | 51-55 °C |
Purity: | 95 % |
Density: | 1.857 g/cm3 |
Appearance: | Light yellow crystal powder |
MDL: | MFCD00173743 |
LogP: | 1.89600 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111499566-A | Pyridine derivative compound and preparation method thereof | 20200430 |
WO-2020162471-A1 | Pyridone derivative | 20190208 |
EP-3584249-A1 | Gold (i)-phosphine 1,2,3-triazole derivatives with antiobiotic properties | 20180619 |
WO-2019243273-A1 | Gold (i)-phosphine 1,2,3-triazole derivatives with antiobiotic properties | 20180619 |
EP-3810618-A1 | Gold (i)-phosphine 1,2,3-triazole derivatives with antibiotic properties | 20180619 |
Complexity: | 88.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.94941 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.94941 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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