4-Amino-3-nitrophenol - CAS 610-81-1
Catalog: |
BB030939 |
Product Name: |
4-Amino-3-nitrophenol |
CAS: |
610-81-1 |
Synonyms: |
Phenol, 4-amino-3-nitro-; 2-Amino-5-hydroxynitrobenzene; 2-Nitro-4-hydroxyaniline; 3-Nitro-4-aminophenol; 4-Hydroxy-2-nitroaniline; NSC 400380; p-Hydroxy-o-nitroaniline |
IUPAC Name: | 4-amino-3-nitrophenol |
Description: | An aminonitrophenol isomer used in hair dyes, potent human skin sensitizers and other cosmetic products with very low levels of mutagenic activity. |
Molecular Weight: | 154.12 |
Molecular Formula: | C6H6N2O3 |
Canonical SMILES: | C1=CC(=C(C=C1O)[N+](=O)[O-])N |
InChI: | InChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2 |
InChI Key: | IQXUIDYRTHQTET-UHFFFAOYSA-N |
Boiling Point: | 374.4±32.0°C at 760 mmHg |
Melting Point: | 147-149°C |
Purity: | ≥95% |
Density: | 1.511±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Dark red powder |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00066310 |
LogP: | 1.98700 |
GHS Hazard Statement: | H302 (60.75%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-11137291-B1 | Hair colorant assessment, selection and formulation system | 20210308 |
CN-111812265-A | Detection method for simultaneously determining 32 dyes in hair dye | 20200710 |
CN-111812265-B | Detection method for simultaneously determining 32 dyes in hair dye | 20200710 |
CN-111333523-A | Synthetic method of 3-nitro-4-hydroxyethylaminophenol | 20200413 |
DE-102020204541-A1 | A method of coloring keratinic material, comprising the use of an organosilicon compound, a polysaccharide, a coloring compound and an aftertreatment agent | 20200408 |
PMID | Publication Date | Title | Journal |
20086194 | 20091101 | Final report on the safety assessment of amino nitrophenols as used in hair dyes | International journal of toxicology |
19328738 | 20090715 | Intermolecular interactions in solutions of some amino-nitro-benzene derivatives, studied by spectral means | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
15932582 | 20050601 | Allergy to 3-nitro-p-hydroxyethylaminophenol and 4-amino-3-nitrophenol in a hair dye | Contact dermatitis |
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: | 0.9 |
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