2-Amino-4-methylphenol - CAS 95-84-1
Catalog: |
BB041858 |
Product Name: |
2-Amino-4-methylphenol |
CAS: |
95-84-1 |
Synonyms: |
2-amino-4-methylphenol |
IUPAC Name: | 2-amino-4-methylphenol |
Description: | 2-Amino-4-methylphenol (CAS# 95-84-1) is a useful research chemical. |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | CC1=CC(=C(C=C1)O)N |
InChI: | InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3 |
InChI Key: | ZMXYNJXDULEQCK-UHFFFAOYSA-N |
Boiling Point: | 239.4 °C at 760 mmHg |
Melting Point: | 134-139 °C |
Purity: | 95 % |
Density: | 1.157 g/cm3 |
Solubility: | less than 1 mg/mL at 68 °F |
Appearance: | White crystal powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007699 |
LogP: | 1.86400 |
Vapor Pressure: | 0.00308 [mmHg] |
GHS Hazard Statement: | H302 (12.9%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
25622337 | 20150501 | Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study | Environmental health perspectives |
22622060 | 20120901 | Novel polymer anchored Cr(III) Schiff base complexes: synthesis, characterization and antimicrobial properties | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22624827 | 20120901 | Patch testing with the textile dyes Disperse Orange 1 and Disperse Yellow 3 and some of their potential metabolites, and simultaneous reactions to para-amino compounds | Contact dermatitis |
22349058 | 20120501 | Assessment of the sensitizing potential of textile disperse dyes and some of their metabolites by the loose-fit coculture-based sensitization assay (LCSA) | Archives of toxicology |
22300888 | 20120301 | Redox potentials, laccase oxidation, and antilarval activities of substituted phenols | Bioorganic & medicinal chemistry |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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