Description

4-Nitrosophenol (CAS No. 104-91-6) is a high-purity organic compound with the molecular formula C₆H₅NO₂, widely utilized in chemical synthesis and research applications. This yellow to green crystalline solid exhibits excellent reactivity as an intermediate in the preparation of dyes, pharmaceuticals, and specialty chemicals. With an IUPAC name of 4-nitrosophenol, this compound is rigorously tested for quality, ensuring optimal performance in laboratory and industrial settings. Our product is supplied with detailed analytical certificates, including HPLC, NMR, and MS data, guaranteeing >98% purity. Proper storage recommendations (cool, dry, and protected from light) are provided to maintain stability. Available in scalable quantities from milligrams to kilograms, 4-Nitrosophenol is ideal for researchers requiring precision and reproducibility.

Properties

• CAS Number: 104-91-6
• Complexity: 97.2
• IUPAC Name: 4-nitrosophenol
• InChI: InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
• InChI Key: JSTCPNFNKICNNO-UHFFFAOYSA-N
• Exact Mass: 123.032028402
• Molecular Formula: C6H5NO2
• Molecular Weight: 123.11
• SMILES: C1=CC(=CC=C1N=O)O
• Topological: 49.7
• Monoisotopic Mass: 123.032028402
• Physical Description: P-benzoquinone monoxime is a black solid.
• Color/Form: PALE YELLOW ORTHORHOMBIC NEEDLES, BROWNS @ 126 °C
• Melting Point: 270 to 291 °F
• Solubility: less than 1 mg/mL at 70 °F
• Vapor Pressure: 0.15 [mmHg]
• Dissociation Constants: KA= 3.3X10-7 @ 25 °C
• Synonyms: 4-NITROSOPHENOL, 104-91-6, p-Nitrosophenol, Phenol, 4-nitroso-, Nitrosophenol, Quinone oxime, Quinone monoxime, Phenol, p-nitroso-, 4-Nitrosofenol, p-Chinonmonoxim, 1,4-Benzoquinone monoxime, para-Nitrosophenol, p-Benzoquinone monoxime, 4-Nitrosofenol [Czech], p-Chinonmonoxim [Czech], NSC 3124, CCRIS 4710, HSDB 5362, EINECS 203-251-6, BRN 1856695, 55EB58H2UP, DTXSID0025991, AI3-19026, NSC-3124, NITROSOPHENOL, 4-, 4-NITROSOPHENOL [MI], DTXCID405991, 4-NITROSOPHENOL [HSDB], DTXSID0075287, pNitrosophenol, 4Nitrosofenol, paraNitrosophenol, Phenol, pnitroso, Phenol, 4nitroso, P-BENZOQUINONE OXIME, DTXCID6044066, 203-251-6, 104-91-6637-62-7, 4-Benzoquinone Monoxime, 637-62-7, p-Quinone monoxime, Quinone monooxime, p-Quinone monooxime, Quinone 4-oxime, p-Benzoquinone 4-oxime, p-Benzoquinone, monooxime, 1,4-Benzoquinone 4-oxime, 2,5-Cyclohexadiene-1,4-dione, monooxime, 4-Hydroxyimino-2,5-cyclohexadiene-1-one, MFCD00002329, NSC3124, 4-07-00-02073 (Beilstein Handbook Reference), CAS-104-91-6, NSC 239647, BRN 2040595, UNII-55EB58H2UP, 2,5-Cyclohexadien-1-one, 4-hydroxyimino-, benzoquinone oxime, 4-Nitroso-phenol, mono-nitroso phenol, 2,5-Cyclohexadiene-1,4-dione 1-Oxime; 1,4-Benzoquinone 4-Oxime; Quinone Monooxime; NSC 239647;, benzoquinone monooxime, 2, 4-hydroxyimino-, 2,4-dione, monooxime, 4-(hydroxyimino)cyclohexa-2,5-dien-1-one, WLN: QR DNO, WLN: L6V DYJ DUNQ, SCHEMBL107699, SCHEMBL232995, SCHEMBL712641, 1,4-Benzoquinone, 1-oxime-, CHEMBL104353, CHEMBL3276923, SCHEMBL11345168, JSTCPNFNKICNNO-UHFFFAOYSA-, KMGMCLWJFCGWFI-UHFFFAOYSA-N, Tox21_201754, Tox21_303059, NSC239647, STL453714, AKOS006230373, AKOS006311740, FB18225, FN00312, NSC-239647, NCGC00249111-01, NCGC00257216-01, NCGC00259303-01, 4-hydroxyimino-cyclohexa-2,5-dien-1-one, CS-0366469, N0374, NS00021469, D95331, A801099, 4-NITROSOPHENOL (WETTED WITH CA. 40% WATER), Q27261304, InChI=1/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H, 2,5-Cyclohexadiene-1,4-dione 1-oxime;1,4-Benzoquinone 4-oxime;Quinone monooxime, 4-Nitrosophenol (wetted with ca. 40% Water) (unit weight on dry weight basis)

Application

4-Nitrosophenol serves as a key intermediate in the synthesis of azo dyes, pharmaceuticals, and agrochemicals. It is employed in organic oxidation reactions and as a precursor for polymerization inhibitors. Researchers also utilize it in photochemical studies due to its light-sensitive properties. Its role in analytical chemistry as a derivatization agent further highlights its versatility.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, and P501

Hazard Classes and Categories

• Self-react. D (20.7%)
• Acute Tox. 3 (11.7%)
• Acute Tox. 4 (88.3%)
• Skin Irrit. 2 (56.4%)
• Skin Sens. 1 (55.9%)
• Eye Dam. 1 (100%)
• Muta. 2 (100%)
• Aquatic Chronic 2 (88.3%)
• Aquatic Chronic 4 (11.7%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.