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| CAS No.: | 554-84-7 |
|---|---|
| Name: | 3-Nitrophenol |
| Article Data: | 277 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5NO3 |
| Molecular Weight: | 139.111 |
| Synonyms: | Phenol,m-nitro- (8CI);1-Hydroxy-3-nitrobenzene;3-Hydroxynitrobenzene;m-Hydroxynitrobenzene;m-Nitrophenol; |
| EINECS: | 209-073-5 |
| Density: | 1.49 g/cm3 |
| Melting Point: | 89-95 °C |
| Boiling Point: | 277.6 °C at 760 mmHg |
| Flash Point: | 126.9 °C |
| Solubility: | 13.5 g/L (25 °C) in water |
| Appearance: | yellow to brown crystalline powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-38-41-36/37/38-33-20/21/22 |
| Safety: | 26-36/37-45-36/37/39-22-28 |
| Transport Information: | UN 1663 6.1/PG 3 |
| PSA: | 66.05000 |
| LogP: | 1.82360 |
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- 13331-27-6
m-nitrobenzene boronic acid
- 554-84-7
meta-nitrophenol
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In water at 30℃; Green chemistry; | 99% |
| With 2,5-dimethylfuran; zinc(II) phthalocyanine; oxygen In tetrahydrofuran at 25℃; under 760.051 Torr; for 1.5h; Irradiation; Sealed tube; Schlenk technique; | 98% |
| With water; 3-chloro-benzenecarboperoxoic acid In ethanol at 20℃; for 6h; | 97% |
- 32578-25-9
trifluoromethanesulfonic acid 3-nitrophenyl ester
- 554-84-7
meta-nitrophenol
| Conditions | Yield |
|---|---|
| With tetraethylammonium hydroxide In 1,4-dioxane at 20℃; for 1h; | 99% |
| With caesium carbonate In toluene at 80℃; for 15h; | 85% |
| Conditions | Yield |
|---|---|
| Stage #1: m-iodonitrobenzene With copper(l) iodide; 2-methyl-8-quinolinol; tetra(n-butyl)ammonium hydroxide In water; dimethyl sulfoxide at 70℃; for 5h; Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide at 20℃; | 98% |
| With glycolic Acid; copper hydroxide; sodium hydroxide In water; dimethyl sulfoxide at 120℃; for 6h; Inert atmosphere; Schlenk technique; | 97% |
| Stage #1: m-iodonitrobenzene With copper(l) iodide; 8-Hydroxyquinoline-N-oxide In dimethyl sulfoxide at 20℃; for 0.166667h; Inert atmosphere; Stage #2: With cesiumhydroxide monohydrate In water; dimethyl sulfoxide at 100℃; for 15h; Inert atmosphere; | 88% |
- 554-84-7
meta-nitrophenol
| Conditions | Yield |
|---|---|
| With Oxone; water In acetone at 20℃; for 0.0333333h; | 98% |
- 58621-55-9
1-allyloxy-3-nitro-benzene
- 554-84-7
meta-nitrophenol
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 20℃; for 9h; | 97% |
| With bis(benzonitrile)palladium(II) dichloride In benzene for 20h; Heating; | 90% |
- 28659-20-3
3-(2-tetrahydropyranyloxy)nitrobenzene
- 554-84-7
meta-nitrophenol
| Conditions | Yield |
|---|---|
| With acid-washed bentonite In acetone at 40 - 50℃; for 0.833333h; | 97% |
| With montmorillonite K-10 In methanol at 40 - 50℃; for 0.4h; | 96% |
| Conditions | Yield |
|---|---|
| silica gel; toluene-4-sulfonic acid In water; toluene at 80℃; for 8h; | 96% |
| With lithium aluminium tetrahydride In diethyl ether for 2h; Heating; | 70% |
| With water In acetonitrile for 3h; Irradiation; |
| Conditions | Yield |
|---|---|
| With acetic acid; trifluoroacetic acid In water for 0.75h; Reflux; | 95% |
- 24318-00-1
3-(benzyloxy)nitrobenzol
- 554-84-7
meta-nitrophenol
| Conditions | Yield |
|---|---|
| With thiophene; sodium hydrogen sulfate; silica gel for 5h; Heating; | 94% |
| With methyl-phenyl-thioether; trifluoroacetic acid In toluene at 20℃; for 36h; | 75% |
| With sulfosuccinic acid functionalized mesoporous silica In ethanol at 100℃; |
| Conditions | Yield |
|---|---|
| With 1-n-butyl-3-methylimidazolim bromide at 200 - 220℃; for 0.416667h; Microwave irradiation; Inert atmosphere; | 94% |
- 5550-75-42'-EpidihydroergotaMine
- 555-16-84-Nitrobenzaldehyde
- 555-21-5p-Nitrophenylacetonitrile
- 555-31-7Aluminium isopropoxide
- 555-43-1Glycerol tristearate
- 555-44-2TRIPALMITIN
- 55-55-04-Methylaminophenol sulfate
- 555-75-9ALUMINUM ETHOXIDE
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:16 Page 1 of 1 1
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Chemistry
Molecular Structure of 3-Nitrophenol (CAS NO.554-84-7):
IUPAC Name: 3-nitrophenol
Empirical Formula: C6H5NO3
Molecular Weight: 139.1088
EINECS: 209-073-5
Boiling Point: 277.6 °C at 760 mmHg
Flash Point: 126.9 °C
Index of Refraction: 1.612
Molar Refractivity: 34.67 cm3
Molar Volume: 99.7 cm3
Surface Tension: 60.2 dyne/cm
Density: 1.395 g/cm3
Enthalpy of Vaporization: 53.69 kJ/mol
Vapour Pressure: 0.00266 mmHg at 25°C
Water Solubility: 13.5 g/L (25°C )
Merck: 14,6619
BRN: 1907946
Melting point: 89-95 °C
Product Categories: Aromatic Phenols; Phenoles and thiophenoles; Analytical Chemistry; Indicator (pH); pH Indicators; Organic Building Blocks; Oxygen Compounds; Phenols; Essential Chemicals; Reagent Plus; Routine Reagents
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 83mg/kg (83mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 675, 1986. | |
| frog | LDLo | subcutaneous | 160mg/kg (160mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896. |
| guinea pig | LDLo | subcutaneous | 500mg/kg (500mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: COMA | Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896. |
| mammal (species unspecified) | LD50 | oral | 250mg/kg (250mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. | |
| mammal (species unspecified) | LD50 | skin | 543mg/kg (543mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. | |
| mouse | LD50 | oral | 1070mg/kg (1070mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981. | |
| mouse | LDLo | intraperitoneal | 70mg/kg (70mg/kg) | Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952. | |
| rat | LD50 | oral | 328mg/kg (328mg/kg) | Gigiena Truda i Professional'naya Patologiya v Estonskoi SSR. Labor Hygiene and Occupational Pathology in the Estonian SSR. Vol. 8, Pg. 145, 1972. | |
| rat | LDLo | subcutaneous | 500mg/kg (500mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: COMA | Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896. |
Consensus Reports
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion, subcutaneous, and intraperitoneal routes. Moderately toxic by skin contact. A skin and severe eye irritant. When heated to decomposition it emits toxic fumes of NOx.
The Hazard Codes of 3-Nitrophenol (CAS NO.554-84-7): 
Xn,
Xi
Hazard Note: Harmful/Irritant
HazardClass: 6.1
The Risk Statements information:
22: Harmful if swallowed
33: Danger of cumulative effects
38: Irritating to the skin
41: Risk of serious damage to eyes
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information:
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37: Wear suitable protective clothing and gloves
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 1663 6.1/PG 3
WGK Germany: 3
RTECS: SM1925000
F: 8
PackingGroup: III
HS Code: 29089000
Standards and Recommendations
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
Specification
3-Nitrophenol , with CAS number of 554-84-7, can be called Phenol,m-nitro- (8CI) ; 1-Hydroxy-3-nitrobenzene ; 3-Hydroxynitrobenzene ; m-Hydroxynitrobenzene ; m-Nitrophenol . It is a yellow to brown crystalline powder, 3-Nitrophenol (CAS NO.554-84-7) is used as a medicine, dyes intermediates.