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Basic Information
CAS No.: 554-84-7
Name: 3-Nitrophenol
Article Data: 277
Molecular Structure:
Molecular Structure of 554-84-7 (3-Nitrophenol)
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: HarmfulXn,IrritantXi
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
Synthetic route
13331-27-6

m-nitrobenzene boronic acid

554-84-7

meta-nitrophenol

Conditions
ConditionsYield
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
ConditionsYield
With tetraethylammonium hydroxide In 1,4-dioxane at 20℃; for 1h;99%
With caesium carbonate In toluene at 80℃; for 15h;85%
645-00-1

m-iodonitrobenzene

554-84-7

meta-nitrophenol

Conditions
ConditionsYield
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%

potassium 3-nitrophenyltrifluoroborate

554-84-7

meta-nitrophenol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%
1523-06-4

3-nitrophenyl acetate

554-84-7

meta-nitrophenol

Conditions
ConditionsYield
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;
1441-07-2

p-Nitrophenylvinylether

554-84-7

meta-nitrophenol

Conditions
ConditionsYield
With acetic acid; trifluoroacetic acid In water for 0.75h; Reflux;95%
24318-00-1

3-(benzyloxy)nitrobenzol

554-84-7

meta-nitrophenol

Conditions
ConditionsYield
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℃;
621-52-3

1-ethoxy-3-nitrobenzene

554-84-7

meta-nitrophenol

Conditions
ConditionsYield
With 1-n-butyl-3-methylimidazolim bromide at 200 - 220℃; for 0.416667h; Microwave irradiation; Inert atmosphere;94%
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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 cm
Molar Volume: 99.7 cm3 
Surface Tension: 60.2 dyne/cm 
Density: 1.395 g/cm
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): HarmfulXn,IrritantXi
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.