Ethyl 2-Chlorooxazole-4-carboxylate - CAS 460081-18-9
Catalog: |
BB026053 |
Product Name: |
Ethyl 2-Chlorooxazole-4-carboxylate |
CAS: |
460081-18-9 |
Synonyms: |
2-chloro-4-oxazolecarboxylic acid ethyl ester; ethyl 2-chloro-1,3-oxazole-4-carboxylate |
IUPAC Name: | ethyl 2-chloro-1,3-oxazole-4-carboxylate |
Description: | Ethyl 2-Chlorooxazole-4-carboxylate (CAS# 460081-18-9) is a useful research chemical. |
Molecular Weight: | 175.57 |
Molecular Formula: | C6H6ClNO3 |
Canonical SMILES: | CCOC(=O)C1=COC(=N1)Cl |
InChI: | InChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3 |
InChI Key: | SYWQOPRAPDMWMC-UHFFFAOYSA-N |
Boiling Point: | 254.1 °C at 760 mmHg |
Density: | 1.332 g/cm3 |
MDL: | MFCD06660120 |
LogP: | 1.50470 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
12889906 | 20030807 | Synthesis of 2-aryl-oxazolo[4,5-c]quinoline-4(5H)-ones and 2-aryl-thiazolo[4,5-c]quinoline-4(5H)-ones | Organic letters |
12182585 | 20020822 | Ethyl 2-chlorooxazole-4-carboxylate: a versatile intermediate for the synthesis of substituted oxazoles | Organic letters |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0036207 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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