ChemicalBook CAS DataBase List 554-84-7

554-84-7

Name	3-Nitrophenol
CAS	554-84-7
EINECS(EC#)	209-073-5
Molecular Formula	C6H5NO3
MDL Number	MFCD00007240
Molecular Weight	139.11
MOL File	554-84-7.mol

Synonyms

3-Hydroxy-1-nitrobenzene 3-NITROPHENOL M-NITROPHENOL M-NITROPHENOL INDICATOR 1-Hydroxy-3-nitrobenzene 3-Hydroxynitrobenzene 3-Hydroxy-nitrobenzene 3-hydroxynitrobenzene[qr] 3-nitro-pheno crumpleather-lastingdressing[qr] meta-Nitrophenol m-Hydroxynitrobenzene m-hydroxynitrobenzene[qr] m-Nitrofenol m-nitro-pheno m-nitrophenol(3-nitrophenol) m-nitrophenol[qr] Phenol, m-nitro- Phenol,3-nitro- phenol,3-nitro-[qr]

Chemical Properties

Appearance	yellow to brown crystalline powder
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
form	Crystalline Powder
pka	8.28(at 25℃)
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
Detection Methods	HPLC
Merck	14,6619
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	554-84-7(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS07
Signal word	Danger
Hazard statements	H302-H315-H318
Precautionary statements	P280-P305+P351+P338
Hazard Codes	Xn,Xi
Risk Statements	R22:Harmful if swallowed. R38:Irritating to the skin. R41:Risk of serious damage to eyes. R36/37/38:Irritating to eyes, respiratory system and skin . R33:Danger of cumulative effects. R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37:Wear suitable protective clothing and gloves . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S22:Do not breathe dust . S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) . less more
RIDADR	UN 1663 6.1/PG 3
WGK Germany	3
RTECS	SM1925000
F	8
Autoignition Temperature	400 °C
Hazard Note	Harmful/Irritant
TSCA	Yes
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
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. See also other nitrophenol entries. less more
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) less more

Raw materials And Preparation Products

Hazard Information

General Description

Colorless to pale yellow crystalline solid. Sinks in and mixes with water.

Reactivity Profile

M-NITROPHENOL(554-84-7) is a light-yellow, crystalline material, toxic and irritant. When heated to decomposition M-NITROPHENOL(554-84-7) 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.

Air & Water Reactions

Water insoluble.

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

Chemical Properties

yellow to brown crystalline powder

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 again st epidermal growth factor receptor T790M mutation.

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.

Uses

As indicator in 0.3% solution in 50% alcohol. pH: 6.8 colorless, 8.6 yellow.

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.

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.

Synthesis Reference(s)

Tetrahedron Letters, 36, p. 5117, 1995 DOI: 10.1016/0040-4039(95)00963-D

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.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Send Inquriy