3-Nitrophenol CAS 554-84-7
Introduction：Basic information about 3-Nitrophenol CAS 554-84-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Nitrophenol Basic information
| Product Name: | 3-Nitrophenol |
| Synonyms: | 3-Hydroxy-1-nitrobenzene;3-NITROPHENOL;M-NITROPHENOL;M-NITROPHENOL INDICATOR;1-Hydroxy-3-nitrobenzene;3-Hydroxynitrobenzene;m-nitrophenol[qr];Phenol, m-nitro- |
| CAS: | 554-84-7 |
| MF: | C6H5NO3 |
| MW: | 139.11 |
| EINECS: | 209-073-5 |
| Product Categories: | Nitro;Pharmaceutical Intermediates;Aromatic Phenols;Phenoles and thiophenoles;Analytical Chemistry;Indicator (pH);pH Indicators;Organic Building Blocks;Oxygen Compounds;Phenols;Essential Chemicals;Reagent Plus;Routine Reagents |
| Mol File: | 554-84-7.mol |
3-Nitrophenol Chemical Properties
| Melting point | 96-98 °C (lit.) |
| Boiling point | 194 °C/70 mmHg (lit.) |
| bulk density | 640kg/m3 |
| density | 1,49 g/cm3 |
| refractive index | 1.5723 (estimate) |
| Fp | 102°C |
| storage temp. | Store at +5°C to +30°C. |
| solubility | 13.5g/l insoluble |
| pka | 8.28(at 25℃) |
| form | Crystalline Powder |
| color | Yellow to brown |
| PH | 6.6-8.6 (H2O, 20℃) |
| PH Range | 6.6(colourless)-8.6(yellow/orange) |
| Water Solubility | 13.5 g/L (25 ºC) |
| λmax | 570nm |
| Merck | 14,6618 |
| BRN | 1907946 |
| Major Application | Display device, semiconductor device, sensors, high voltage capacitors, energetic materials, electrolyte batteries, inks, correction fluid, detergent, leak detection method, lubricants, insecticide, food storage, inhibition of amyloidoses, detect bacterialinfection, drugs, material for evaluating dental caries activity |
| Cosmetics Ingredients Functions | HAIR DYEING |
| InChI | 1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H |
| InChIKey | RTZZCYNQPHTPPL-UHFFFAOYSA-N |
| SMILES | Oc1cccc(c1)[N+]([O-])=O |
| CAS DataBase Reference | 554-84-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 3-nitro-(554-84-7) |
| EPA Substance Registry System | m-Nitrophenol (554-84-7) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-38-41-36/37/38-33-20/21/22 |
| Safety Statements | 26-36/37-45-36/37/39-22-28 |
| RIDADR | UN 1663 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | SM1925000 |
| F | 8 |
| Autoignition Temperature | 400 °C |
| Hazard Note | Harmful/Irritant |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29089000 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 |
| Hazardous Substances Data | 554-84-7(Hazardous Substances Data) |
| Toxicity | LD50 orally in mice, rats: 1414, 933 mg/kg, K. C. Back et al., Reclassification of Materials Listed as Transportation Health Hazards (TSA-20-72-3; PB214-270, 1972) |
| Chemical Properties | yellow to brown crystalline powder |
| Uses | As indicator in 0.3% solution in 50% alcohol. pH: 6.8 colorless, 8.6 yellow. |
| Uses | 3-Nitrophenol is a chemical reagent used in various organic syntheses. Used in the synthesis of RAGE inhibitors via the etherification of phenols. Also used in the synthesis of kinase inhibitors against epidermal growth factor receptor T790M mutation. |
| Production Methods | 3-Nitroaniline is diazotized in aqueous sulfuric acid and then hydrolyzed by being added gradually to boiling dilute sulfuric acid. The crude product solidifies on cooling and is filtered off in 90 % yield. |
| Definition | ChEBI: A member of the class of 3-nitrophenols that is phenol in which one of the hydrogens that is meta to the hydroxy group has been replaced by a nitro group. |
| Synthesis Reference(s) | Tetrahedron Letters, 36, p. 5117, 1995 DOI: 10.1016/0040-4039(95)00963-D |
| General Description | Colorless to pale yellow crystalline solid. Sinks in and mixes with water. |
| Air & Water Reactions | Water insoluble. |
| Reactivity Profile | 3-Nitrophenol is a light-yellow, crystalline material, toxic and irritant. When heated to decomposition 3-Nitrophenol emits toxic fumes of oxides of nitrogen [Lewis, 3rd ed., 1993, p. 941]. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has Ka = 1.3 x 10^[-10]). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. |
| Hazard | Toxic by ingestion. |
| Health Hazard | INHALATION: Inhalation or ingestion causes headaches, drowsiness, nausea, and blue color in lips, ears, and finger nails (cyanosis). EYES: Contact with eyes causes irritation. SKIN: Can be absorbed through intact skin to give same symptoms as for inhalation. |
| Fire Hazard | Special Hazards of Combustion Products: Dangerous toxic fumes of NO x |
| Safety Profile | Poison by ingestion,subcutaneous, and intraperitoneal routes.Moderately toxic by skin contact. A skin andsevere eye irritant. When heated todecomposition it emits toxic fumes of NOx.See also other nitrophenol entries. |
| Purification Methods | Crystallise 3-nitrophenol from water, CHCl3, CS2, EtOH or pet ether (b 80-100o), and dry it under vacuum over P2O5 at room temperature. It can also be distilled at low pressure. The 4-nitrobenzoate had m 174o (from EtOH). [Beilstein 6 IV 1269.] |
3-Nitrophenol Preparation Products And Raw materials
| Raw materials | 3-Nitroaniline |
| Preparation Products | m-Anisidine-->2,5-DINITROPHENOL-->3,5-DINITROPHENOL-->4-Aminocatechol-->4-BROMO-3-ETHOXYANILINE HYDROCHLORIDE-->4-IODO-3-NITROPHENOL-->Phentolamine-->4,4'-DINITRODIPHENYL ETHER-->2-chloro-3-nitro-phenol-->2-Bromo-3-nitrophenol-->2-(Trifluoromethoxy)nitrobenzene-->7-Hydroxyquinoline-->3-PHENOXYANILINE |
