CAS No.554-84-7,3-Nitrophenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	554-84-7
Name:	3-Nitrophenol
Article Data:	277

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

Synthetic route

: 13331-27-6
m-nitrobenzene boronic acid

: 554-84-7
meta-nitrophenol

Conditions

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

Conditions	Yield
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

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%

: potassium 3-nitrophenyltrifluoroborate

: 554-84-7
meta-nitrophenol

Conditions

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

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

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%

: 1523-06-4
3-nitrophenyl acetate

: 554-84-7
meta-nitrophenol

Conditions

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;

: 1441-07-2
p-Nitrophenylvinylether

: 554-84-7
meta-nitrophenol

Conditions

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

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℃;

: 621-52-3
1-ethoxy-3-nitrobenzene

: 554-84-7
meta-nitrophenol

Conditions

Conditions	Yield
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 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 NO_x.
The Hazard Codes of 3-Nitrophenol (CAS NO.554-84-7): Harmful 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.