Benzocaine EP Impurity E - CAS 62-23-7
Catalog: |
BB031472 |
Product Name: |
Benzocaine EP Impurity E |
CAS: |
62-23-7 |
Synonyms: |
p-Nitrobenzoic acid; 1-Carboxy-4-nitrobenzene |
IUPAC Name: | 4-nitrobenzoic acid |
Description: | One impurity of Tetracaine and Benzocaine. |
Molecular Weight: | 167.12 |
Molecular Formula: | C7H5NO4 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10) |
InChI Key: | OTLNPYWUJOZPPA-UHFFFAOYSA-N |
Boiling Point: | 359.1 °C at 760 mmHg |
Melting Point: | 237-240 °C (lit.) |
Flash Point: | 396 °F |
Purity: | > 95 % |
Density: | 1.61 g/cm3 |
Solubility: | less than 1 mg/mL at 79 °F |
Appearance: | Off-white to pale yellow solid |
Decomposition: | When heat to decomposition it emits toxic fumes of /nitrogen oxides |
MDL: | MFCD00007352 |
LogP: | 1.81620 |
pH: | 2.8 |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases. |
Vapor Pressure: | 0.00000253 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P304+P312, P304+P340, P305+P351+P338, P312, P330, P337+P313, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113502342-A | Identification method of mycobacterium tuberculosis and nontuberculous mycobacterium | 20210816 |
CN-113336773-A | Spiro-bis-benzoxazole diamine, preparation method and application thereof, polyimide, preparation method and application thereof | 20210629 |
CN-113517138-A | Method for reducing working internal pressure of aluminum electrolytic capacitor by using hydrogen storage alloy | 20210629 |
CN-113517139-A | Method for reducing working internal pressure of aluminum electrolytic capacitor | 20210629 |
CN-113517140-A | Working electrolyte for improving hydration resistance of low-voltage aluminum electrolytic capacitor and preparation method thereof | 20210629 |
PMID | Publication Date | Title | Journal |
23010269 | 20121101 | Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of the apelin (APJ) receptor | Bioorganic & medicinal chemistry letters |
22411272 | 20120901 | Cellular distribution of cell cycle-related molecules in the renal tubules of rats treated with renal carcinogens for 28 days: relationship between cell cycle aberration and carcinogenesis | Archives of toxicology |
22904879 | 20120801 | Methyl 2-(5,5-dimethyl-1,3,2-dioxa-borinan-2-yl)-4-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
22904981 | 20120801 | (R,E)-3-(4-Chloro-phen-yl)-1-phenyl-allyl 4-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
22495219 | 20120701 | Experimental and DFT theoretical studies of surface enhanced Raman scattering effect on the silver nano arrays modified electrode | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.02185764 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.02185764 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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