Ethyl 2-Bromooxazole-5-carboxylate - CAS 1060816-22-9
Catalog: |
BB001807 |
Product Name: |
Ethyl 2-Bromooxazole-5-carboxylate |
CAS: |
1060816-22-9 |
Synonyms: |
2-bromo-5-oxazolecarboxylic acid ethyl ester; ethyl 2-bromo-1,3-oxazole-5-carboxylate |
IUPAC Name: | ethyl 2-bromo-1,3-oxazole-5-carboxylate |
Description: | Ethyl 2-Bromooxazole-5-carboxylate (CAS# 1060816-22-9) is a useful research chemical. |
Molecular Weight: | 220.02 |
Molecular Formula: | C6H6BrNO3 |
Canonical SMILES: | CCOC(=O)C1=CN=C(O1)Br |
InChI: | InChI=1S/C6H6BrNO3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3 |
InChI Key: | VZYKDUOPMKESLS-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD09743496 |
LogP: | 1.61380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939829-A | Synthetic method of aryl trifluoromethyl thioether | 20210304 |
WO-2021203014-A1 | Pyrano[4,3-b]l ndole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
CN-113072546-A | Five-membered heteroaromatic derivative and preparation method and application thereof | 20200106 |
US-2021087180-A1 | Modulators of STING (Stimulator of Interferon Genes) | 20190925 |
WO-2021059136-A1 | Polyheterocyclic modulators of sting (stimulator of interferon genes) | 20190925 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.95311 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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