4-Amino-2-nitrophenol - CAS 119-34-6
Catalog: |
BB004477 |
Product Name: |
4-Amino-2-nitrophenol |
CAS: |
119-34-6 |
Synonyms: |
4-amino-2-nitrophenol |
IUPAC Name: | 4-amino-2-nitrophenol |
Description: | 4-Amino-2-nitrophenol (CAS# 119-34-6) is a reagent used in the synthesis of highly potent inhibitors of breast cancer resistance protein (ABCG2), a member of the ABC transporter superfamily. |
Molecular Weight: | 154.12 |
Molecular Formula: | C6H6N2O3 |
Canonical SMILES: | C1=CC(=C(C=C1N)[N+](=O)[O-])O |
InChI: | InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2 |
InChI Key: | WHODQVWERNSQEO-UHFFFAOYSA-N |
Boiling Point: | 334.5 °C at 760 mmHg |
Melting Point: | 261 °F |
Density: | 1.511 g/cm3 |
Solubility: | less than 0.1 mg/mL at 70 °F |
Appearance: | Dark red plates, needles or reddish-purple powder. melting point 125-127°c. |
Decomposition: | When heated to decomposition it emits toxic fumes of /nitrogen oxides |
MDL: | MFCD00007876 |
LogP: | 1.98700 |
Vapor Pressure: | 0.0000352 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-11137291-B1 | Hair colorant assessment, selection and formulation system | 20210308 |
CN-112851532-A | Preparation method of 2-amino-4-nitrophenol | 20210122 |
EP-3895783-A1 | Process for biogas upgradation | 20200418 |
US-2021322920-A1 | Process for biogas upgradation | 20200418 |
US-2021177717-A1 | M-aminophenol-free hair-colouring compositions | 20191216 |
PMID | Publication Date | Title | Journal |
21962688 | 20111015 | Voltammetric and amperometric determination of 2,4-dinitrophenol metabolites | Talanta |
20086194 | 20091101 | Final report on the safety assessment of amino nitrophenols as used in hair dyes | International journal of toxicology |
17389084 | 20070101 | LC-MS-MS analysis of 2,4-dinitrophenol and its phase I and II metabolites in a case of fatal poisoning | Journal of analytical toxicology |
12498276 | 20021206 | Separation and determination of nitrobenzenes by micellar electrokinetic chromatography and high-performance liquid chromatography | Journal of chromatography. A |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03784206 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 92.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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