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3-Nitrophenol

3-Nitrophenol
3-Nitrophenol structure
CAS No.
554-84-7
Chemical Name:
3-Nitrophenol
Synonyms
Nsc 1551;3-Nitrophe;m-Nitrofenol;M-NITROPHENOL;3-NITROPHENOL;3-nitro-pheno;m-nitro-pheno;Phenol,3-nitro-;Phenol, m-nitro-;meta-Nitrophenol
CBNumber:
CB3728637
Molecular Formula:
C6H5NO3
Formula Weight:
139.11
MOL File:
554-84-7.mol

3-Nitrophenol Properties

Melting point:
96-98 °C (lit.)
Boiling point:
194 °C/70 mmHg (lit.)
Density 
1,49 g/cm3
refractive index 
1.5723 (estimate)
Flash point:
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
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
InChIKey
RTZZCYNQPHTPPL-UHFFFAOYSA-N
CAS DataBase Reference
554-84-7(CAS DataBase Reference)
EWG's Food Scores
1
FDA UNII
T6P4T52V9W
NIST Chemistry Reference
Phenol, 3-nitro-(554-84-7)
EPA Substance Registry System
m-Nitrophenol (554-84-7)
SAFETY
  • Risk and Safety Statements
Symbol(GHS) 
GHS05,GHS07,GHS08
Signal word  Danger
Hazard statements  H302-H315-H318-H312-H335-H373
Precautionary statements  P280-P305+P351+P338-P260-P304+P340-P405-P501a
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
8
Autoignition Temperature 400 °C
Hazard Note  Harmful/Irritant
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29089000
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)

3-Nitrophenol price More Price(26)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 8.20895 3-Nitrophenol for synthesis 554-84-7 5 g $43.38 2021-12-16 Buy
Sigma-Aldrich 163031 3-Nitrophenol ReagentPlus , 99% 554-84-7 10g $67.8 2021-12-16 Buy
Sigma-Aldrich 8.20895 3-Nitrophenol for synthesis 554-84-7 25 g $85.01 2021-12-16 Buy
Sigma-Aldrich 1.06794 3-Nitrophenol indicator 554-84-7 25 g $212.75 2021-12-16 Buy
Sigma-Aldrich 163031 3-Nitrophenol ReagentPlus , 99% 554-84-7 50g $225 2021-12-16 Buy

3-Nitrophenol Chemical Properties,Uses,Production

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

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.

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 and severe eye irritant. When heated to decomposition 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

Preparation Products


3-Nitrophenol Spectrum


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