2-(Bromomethyl)oxazole - CAS 1065073-35-9
Catalog: |
BB001878 |
Product Name: |
2-(Bromomethyl)oxazole |
CAS: |
1065073-35-9 |
Synonyms: |
2-(bromomethyl)oxazole; 2-(bromomethyl)-1,3-oxazole |
IUPAC Name: | 2-(bromomethyl)-1,3-oxazole |
Description: | 2-(Bromomethyl)oxazole (CAS# 1065073-35-9) is used in the synthetic preparation of substituted oxopyridine derivatives as factor XIa and plasma kallikrein inhibitors useful in treating thrombotic or thromboembolic diseases. |
Molecular Weight: | 161.98 |
Molecular Formula: | C4H4BrNO |
Canonical SMILES: | C1=COC(=N1)CBr |
InChI: | InChI=1S/C4H4BrNO/c5-3-4-6-1-2-7-4/h1-2H,3H2 |
InChI Key: | GXUWICFDIIONCH-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD11101409 |
LogP: | 1.56950 |
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-112707854-A | Pyrrole amide compound and application thereof | 20191025 |
WO-2021078135-A1 | Pyrrole amide compound and use thereof | 20191025 |
CN-110746479-A | Compound and preparation method and application thereof | 20191012 |
CN-110746479-B | Compound and preparation method and application thereof | 20191012 |
CN-108947940-A | A kind of synthetic method of 2- oxetane derivative | 20180620 |
Complexity: | 59.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.94763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Related Functional Groups
Oxazole/Thiazole
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