Ethyl (2-benzoimidazolyl)acetate - CAS 14741-71-0
Catalog: |
BB046651 |
Product Name: |
Ethyl (2-benzoimidazolyl)acetate |
CAS: |
14741-71-0 |
Synonyms: |
Ethyl 2-(1H-benzo[d]imidazol-2-yl)acetate; (1H-Benzoimidazol-2-yl)-acetic acid ethyl ester; ethyl 1H-benzimidazol-2-ylacetate; Ethyl 2-(1H-1,3-benzimidazol-2-yl)acetate |
IUPAC Name: | ethyl 2-(1H-benzimidazol-2-yl)acetate |
Description: | Ethyl (2-benzoimidazolyl)acetate (CAS# 14741-71-0 ) is a useful research chemical. |
Molecular Weight: | 204.22 |
Molecular Formula: | C11H12N2O2 |
Canonical SMILES: | CCOC(=O)CC1=NC2=CC=CC=C2N1 |
InChI: | InChI=1S/C11H12N2O2/c1-2-15-11(14)7-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,12,13) |
InChI Key: | JTVPWPDLKUQDAU-UHFFFAOYSA-N |
Boiling Point: | 408.3±28.0 °C (Predicted) |
Melting Point: | 128.5-129.5 °C |
Purity: | ≥ 96 % |
Density: | 1.242±0.06 g/cm3 (Predicted) |
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 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.08987763 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Benzimidazoles
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