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4-Nitrophenol

4-Nitrophenol
4-Nitrophenol structure
CAS No.
100-02-7
Chemical Name:
4-Nitrophenol
Synonyms
HONP;Niphen;NSC 1317;NCI-C55992;in methanoL;Nirtrphenol;4-Nitrofenol;p-Nitrofenol;4-Nitrophenol;4-nitro-pheno
CBNumber:
CB7852550
Molecular Formula:
C6H5NO3
Formula Weight:
139.11
MOL File:
100-02-7.mol

4-Nitrophenol Properties

Melting point:
112 °C
Boiling point:
279 °C(lit.)
Density 
1,27 g/cm3
vapor pressure 
0.6 mm Hg ( 120 °C)
refractive index 
1.5723 (estimate)
Flash point:
169 °C
storage temp. 
Store in dark!
solubility 
ethanol: soluble95%, clear, dark yellow (100 mg/mL)
pka
7.15(at 25℃)
form 
Crystalline Powder, Crystals and/or Chunks
color 
Yellow to brown
Specific Gravity
1.479
Odor
Odorless
PH
4.4 (5g/l, H2O, 24℃)(anhydrous substance)
PH Range
5.3(colorless)-7.6(Yellow)
Evaporation Rate
<1
Water Solubility 
1.6 g/100 mL (25 ºC)
λmax
320nm, 405nm
Sensitive 
Light Sensitive
Merck 
14,6620
BRN 
1281877
Henry's Law Constant
1.63 x 10-7 at 5 °C (average derived from six field experiments, Lüttke and Levsen, 1997)
Stability:
Stable. Incompatible with strong oxidizing agents, strong bases, organics, combustible material, reducing agents. Combustible.
Major Application
Display device, solar cells, nanoparticles, electrolytic capacitors, lithographic printing plate, leak detection method, falsification-proof security paper, correction fluid, detergent, fertilizer, identifying fresh and stale rice, diapers, detecting lactic acid bacteria, drug delivery, evaluating dental caries activity
CAS DataBase Reference
100-02-7(CAS DataBase Reference)
EWG's Food Scores
4
FDA UNII
Y92ZL45L4R
NIST Chemistry Reference
Phenol, 4-nitro-(100-02-7)
EPA Substance Registry System
p-Nitrophenol (100-02-7)
SAFETY
  • Risk and Safety Statements
Symbol(GHS) 
GHS02,GHS06,GHS08,GHS07
Signal word  Danger
Hazard statements  H225-H301+H311+H331-H370-H301-H312+H332-H373-H302-H312-H332
Precautionary statements  P280h-P301+P312a-P304+P340-P321-P501a-P210-P260-P280-P301+P310+P330-P308+P311-P403+P233-P261-P302+P352+P312-P304+P340+P312-P301+P310-P311
Hazard Codes  Xn,T,F
Risk Statements  20/21/22-33-39/23/24/25-23/24/25-11
Safety Statements  28-28A-45-36/37-16-7
RIDADR  UN 1663 6.1/PG 3
WGK Germany  2
RTECS  SM2275000
8
Autoignition Temperature 541 °F
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29089000
Toxicity LD50 orally in mice, rats: 467, 616 mg/kg, K.C. Back et al., Reclassification of Materials Listed as Transportation Health Hazards (TSA-20-72-3; PB214-270, 1972)
NFPA 704
1
3 2

4-Nitrophenol price More Price(21)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 1048 4-Nitrophenol spectrophotometric grade 100-02-7 5g $48.9 2019-12-02 Buy
Sigma-Aldrich 1003064 Acetaminophen Related Compound F United States Pharmacopeia (USP) Reference Standard 100-02-7 50mg $1117.2 2019-12-02 Buy
TCI Chemical N0161 4-Nitrophenol (0.25% in Water) [for pH Determination] 100-02-7 500mL $77 2020-06-24 Buy
Alfa Aesar A14376 4-Nitrophenol, 99% 100-02-7 250g $23.7 2020-06-24 Buy
Alfa Aesar A14376 4-Nitrophenol, 99% 100-02-7 1000g $56 2020-06-24 Buy

4-Nitrophenol Chemical Properties,Uses,Production

Chemical Properties

Yellow to tan crystals or powder

Uses

Used in the manufacturing of pharmaceuticals, fungicides, dyes.

Uses

manufacture of pharmaceuticals, fungicides, dyes. Indicator in 0.1% alcohol solution. pH: 5.6 colorless, 7.6 yellow.

Uses

4-Nitrophenol is used in dyestuff and pesticide synthesis, as a fungicide, bactericide, and wood preservative, as a chemical indicator, and as a substrate for experiments on cytochrome P450 2E1.

Definition

ChEBI: A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.

General Description

A white to light yellow crystalline solid. Contact may severely irritate skin and eyes. Poisonous by ingestion and moderately toxic by skin contact.

Air & Water Reactions

Soluble in hot water and more dense than water.

Reactivity Profile

4-Nitrophenol is a slightly yellow, crystalline material, moderately toxic. Mixtures with diethyl phosphite may explode when heated. Decomposes exothermally, emits toxic fumes of oxides of nitrogen [Lewis, 3rd ed., 1993, p. 941]. Decomposes violently at 279°C and will burn even in absence of air [USCG, 1999]. Solid mixtures of the nitrophenol and potassium hydroxide (1:1.5 mol) readily deflagrate [Bretherick, 5th Ed., 1995].

Hazard

Toxic by ingestion.

Health Hazard

Inhalation or ingestion causes headache, drowsiness, nausea, and blue color in lips, ears, and fingernails (cyanosis). Contact with eyes or skin causes irritation; can be absorbed through skin to give same symptoms as for inhalation.

Safety Profile

Poison by ingestion, subcutaneous, intraperitoneal, intravenous, and intramuscular routes. Moderately toxic by skin contact. Human mutation data reported. Its exothermic decomposition causes a dangerously fast pressure increase. Murtures with diethyl phosphite may explode when heated. When heated to decomposition it emits toxic fumes of NOx. See also other nitrophenol entries and NITRO COMPOUNDS OF AROMATIC HYDROCARBONS.

Environmental Fate

Biological. Under anaerobic conditions, 4-nitrophenol may undergo nitroreduction producing 4- aminophenol (Kobayashi and Rittman, 1982). Estuarine sediment samples collected from the Mississippi River near Leeville, LA were used to study the mineralization of 4-nitrophenol under aerobic and anaerobic conditions. The rate of mineralization to carbon dioxide was found to be faster under aerobic conditions (1.04 x 10-3 μg/day/g dry sediment) than under anaerobic conditions (2.95 x 10-5 μg/day/g dry sediment) (Siragusa and DeLaune, 1986). In lake water samples collected from Beebe and Cayuga Lakes, Ithaca, NY, 4-nitrophenol at 50, 75, and 100 μg/L was not mineralized after 7 d. When the lake water samples were inoculated with the microorganism Corynebacterium sp., extensive mineralization was observed. However, at a concentration of 26 μg/L the extent of mineralization was much lower than at higher concentrations. The presence of a eucaryotic inhibitor (cycloheximide) also inhibited mineralization at the lower concentration but did not affect mineralization at the higher concentrations (Zaidi et al., 1989).
Surface Water. Photodegration half-lives of 5.7, 6.7, and 13.7 d were reported at pH values of 5, 7, and 9, respectively (Hustert et al., 1981).
Groundwater. Nielsen et al. (1996) studied the degradation of 4-nitrophenol in a shallow, glaciofluvial, unconfined sandy aquifer in Jutland, Denmark. As part of the in situ microcosm study, a cylinder that was open at the bottom and screened at the top was installed through a cased borehole approximately 5 m below grade. Five liters of water was aerated with atmospheric air to ensure aerobic conditions were maintained. Groundwater was analyzed weekly for approximately 3 months to determine 4-nitrophenol concentrations with time. The experimentally determined first-order biodegradation rate constant and corresponding half-life were 0.2/d and 3.47 d, respectively.
Photolytic. An aqueous solution containing 200 ppm 4-nitrophenol exposed to sunlight for 1–2 months yielded hydroquinone, 4-nitrocatechol, and an unidentified polymeric substance (Callahan et al., 1979). Under artificial sunlight, river water containing 2 to 5 ppm 4-nitrophenol photodegraded to produce trace amounts of 4-aminophenol (Mansour et al., 1989). A carbon dioxide yield of 39.5% was achieved when 4-nitrophenol adsorbed on silica gel was irradiated with light (λ >290 nm) for 17 h (Freitag et al., 1985).
Chemical/Physical. Wet oxidation of 4-nitrophenol at 320 °C yielded formic and acetic acids (Randall and Knopp, 1980). Wet oxidation of 4-nitrophenol at an elevated pressure and temperature gave the following products: acetone, acetaldehyde, formic, acetic, maleic, oxalic, and succinic acids (Keen and Baillod, 1985).

Metabolic pathway

4-[U-14C]Nitrophenol is conjugated as its b-glucoside (ca 22% of applied 14C) and gentiobioside, glc- b(126)-glc-b-4-nitrophenol (ca 64%), while about 7% of the parent remains unchanged in cell suspension cultures of Datura stramonium (L.). Gal-b-4-nitrophenol is found to be a minor metabolite.

Purification Methods

Crystallise 4-nitrophenol from water (which may be acidified, e.g. with N H2SO4 or 0.5N HCl), EtOH, aqueous MeOH, CHCl3, *benzene or pet ether, then dry it in vacuo over P2O5 at 25o. It can be sublimed at 60o/10-4mm. The 4-nitrobenzoate had m 159o (from EtOH). [Beilstein 6 IV 1279.]

4-Nitrophenol Preparation Products And Raw materials

Raw materials

Preparation Products


4-Nitrophenol Suppliers

Global( 1)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
Nanjing XiZe Biotechnology CO., Ltd. 15250997978
025-58362220 sale@njxizebio.com; China 6511 55

4-Nitrophenol Spectrum


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