2-Thiophen-2-yl-quinoline-4-carboxylic acid - CAS 31792-47-9
Catalog: |
BB046872 |
Product Name: |
2-Thiophen-2-yl-quinoline-4-carboxylic acid |
CAS: |
31792-47-9 |
Synonyms: |
2-(thiophen-2-yl)quinoline-4-carboxylic acid; 2-(2-thienyl)quinoline-4-carboxylic acid; 2-thien-2-ylquinoline-4-carboxylic acid; 2-(2-Thienyl)-4-quinolinecarboxylic acid; 2-(2-Thienyl)cinchoninic acid |
IUPAC Name: | 2-thiophen-2-ylquinoline-4-carboxylic acid |
Description: | 2-Thiophen-2-yl-quinoline-4-carboxylic acid (CAS# 31792-47-9 ) is a useful research chemical. |
Molecular Weight: | 255.29 |
Molecular Formula: | C14H9NO2S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)O |
InChI: | InChI=1S/C14H9NO2S/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11/h1-8H,(H,16,17) |
InChI Key: | YDZHUFHFHQWQQB-UHFFFAOYSA-N |
Boiling Point: | 458.1±40.0 °C (Predicted) |
Melting Point: | 211 °C (ethanol) |
Purity: | 95 % |
Density: | 1.386±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Ethanol |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.0353997 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.0353997 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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