Isoxazole-5-carbonyl chloride - CAS 62348-13-4
Catalog: |
BB031541 |
Product Name: |
Isoxazole-5-carbonyl chloride |
CAS: |
62348-13-4 |
Synonyms: |
1,2-oxazole-5-carbonyl chloride |
IUPAC Name: | 1,2-oxazole-5-carbonyl chloride |
Description: | Isoxazole-5-carbonyl chloride (CAS# 62348-13-4) is a useful research chemical. |
Molecular Weight: | 131.52 |
Molecular Formula: | C4H2ClNO2 |
Canonical SMILES: | C1=C(ON=C1)C(=O)Cl |
InChI: | InChI=1S/C4H2ClNO2/c5-4(7)3-1-2-6-8-3/h1-2H |
InChI Key: | NASLINFISOTVJJ-UHFFFAOYSA-N |
Boiling Point: | 73 °C (15 torr) |
Density: | 1.362 g/mL at 25 °C (lit.) |
Appearance: | Irritating colorless liquid |
Storage: | Store under Nitrogen |
MDL: | MFCD00067868 |
LogP: | 1.05360 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020166680-A1 | 7h-pyrrolo[2,3-d]pyrimidine-4-amine derivative | 20190215 |
KR-20210116598-A | 7H-pyrrolo[2,3-d]pyrimidin-4-amine derivatives | 20190215 |
WO-2019243491-A1 | Compounds | 20180620 |
AU-2019289888-A1 | Compounds | 20180620 |
CN-112334466-A | Compound (I) | 20180620 |
PMID | Publication Date | Title | Journal |
19173645 | 20090219 | A fluorous-tagged 'safety catch' linker for preparing heterocycles by ring-closing metathesis | Organic letters |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.9774060 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.9774060 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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