ChemicalBook--->CAS DataBase List--->91-23-6

91-23-6

91-23-6 Structure

91-23-6 Structure
IdentificationMore
[Name]

2-Nitroanisole
[CAS]

91-23-6
[Synonyms]

1-METHOXY-2-NITROBENZENE
2-METHOXYNITROBENZENE
2-NITROANISOL
2-NITROANISOLE
O-NITROANISOLE
SALOR-INT L301094-1EA
1-methoxy-2-nitro-benzen
1-Nitro-2-methoxybenzene
2-Methoxy-1-nitrobenzene
Anisole, o-nitro-
Benzene,1-methoxy-2-nitro-
NCI-C60388
o-Nitro(methoxy)benzene
o-nitro-anisol
o-Nitrophenyl methyl ether
o-nitrophenylmethylether
ortho-nitrobenzenemethylether
2-NITROANISOLE, 99+%
2-NITROANISOL OEKANAL, 250 MG
2-NitroanisoleForSynthesis
[EINECS(EC#)]

202-052-1
[Molecular Formula]

C7H7NO3
[MDL Number]

MFCD00007096
[Molecular Weight]

153.14
[MOL File]

91-23-6.mol
Chemical PropertiesBack Directory
[Appearance]

2-Nitroanisole is a yellowish or light-red to amber liquid. May be transported in molten form.
[Melting point ]

9-12 °C (lit.)
[Boiling point ]

273 °C (lit.)
[density ]

1.254 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.561(lit.)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator, Under Inert Atmosphere
[solubility ]

alcohol: soluble(lit.)
[form ]

Oil
[color ]

Pale Yellow
[Specific Gravity]

1.254
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Water Solubility ]

1.45 g/L (20 ºC)
[Merck ]

14,6585
[BRN ]

1868032
[Dielectric constant]

43.0
[CAS DataBase Reference]

91-23-6(CAS DataBase Reference)
[IARC]

2A (Vol. 65, 127)
[NIST Chemistry Reference]

Benzene, 1-methoxy-2-nitro-(91-23-6)
[EPA Substance Registry System]

91-23-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R45:May cause cancer.
R22:Harmful if swallowed.
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2730 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

BZ8790000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29093090
[Safety Profile]

Confirmed carcinogen. Moderately toxic by ingestion. Mutation data reported. Explosive reaction with sodium hydroxide + zinc. Vigorous reaction with hydrogen + catalyst (at 250°C/34bar). When heated to decomposition it emits toxic fumes of NOx. See also p- NITROANISOLE.
[Hazardous Substances Data]

91-23-6(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Methanol-->Sodium Methoxide-->2-Nitrochlorobenzene-->2-Methoxyphenylboronic acid-->2,6-DINITROANISOLE-->1-Methoxy-2,4-dinitrobenzene
[Preparation Products]

4-Nitroanisole-->2-Chloroanisole-->3-methoxy-4-nitrophenol-->4-methoxy-3-nitrobenzenesulphonyl chloride-->4-CHLORO-2-ANISIDINE HYDROCHLORIDE-->Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI)-->Fast red KL base-->CI 37235-->o-Dianisidine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Nitroanisole(91-23-6).msds
Hazard InformationBack Directory
[Hazard]

Questionable carcinogen.
[Potential Exposure]

A dye intermediate and for synthesis of other chemicals. NFPA has reported an explosion on during reduction with a nickel catalyst. Occupational exposure to 2-nitroanisole may occur through inhalation and dermal contact with this compound at workplaces where the chemical is produced or used.
[First aid]

Eyes: First check the victim for contact lenses and remove if present. Flush victim’s eyes with water or normal saline solution for 20 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim’s eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: immediately flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, immediately call a physician and be prepared to transport the victim to a hospital for treatment. Inhalation: immediately leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, SCBA should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. Ingestion: do not induce vomiting. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and immediately call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim’s airway is open and lay the victim on his/her side with the head lower than the body. Do not induce vomiting. Immediately transport the victim to a hospital.
[Shipping]

UN2730 Nitroanisoles, liquid, Hazard Class: 6.1; Labels: 6.1-Poisonous materials. UN3458 Nitroanisoles, solid, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.
[Incompatibilities]

A strong oxidizer. Incompatible with strong acids; sulfur, combustibles, organics, and other easily oxidizable materials. Will accelerate the burning of combustible materials. If large quantities are involved in a fire or the combustible material is finely divided, an explosion may result. Prolonged exposure to fire or heat may result in an explosion. Explodes at temperatures >110℃. Combustible-liquid or fine powder may form explosive mixture with air. Nitroanisole reacts explosively with (sodium hydroxide + zinc). It reacts vigorously with hydrogen1 catalyst (@ 250℃ & 25,500 mmHg).
[Chemical Properties]

2-Nitroanisole is a yellowish or light-red to amber liquid. May be transported in molten form.
[Chemical Properties]

yellow to amber liquid
[Waste Disposal]

Use a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
[Uses]

2-Nitroanisole has been employed as solvatochromic probe to examine cybotactic region of pure and mixed supercritical fluid solvent systems.
[Uses]

2-Nitroanisole is an intermediate in the synthesis of various potential therapeutic compounds.
[Definition]

ChEBI: A member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens ortho to the methoxy group is replaced by a nitro group.
[Production Methods]

Methanolic sodium hydroxide is added slowly to a solution of 2- chloronitrobenzene in methanol at 70 ℃; the mixture is then heated gradually to 95 ℃ under pressure to complete the reaction. After dilution with water the product 2-Nitroanisole is separated as an oil, in 90 % yield, and methanol is recovered from the aqueous layer.
[Synthesis Reference(s)]

Tetrahedron Letters, 29, p. 4501, 1988 DOI: 10.1016/S0040-4039(00)80531-6
[General Description]

2-Nitroanisole (2-methoxynitrobenzene is an industrial and environmental pollutant causing tumors of the urinary bladder in rats and mice. Tumorigenic potential of 2-nitroanisole has been evaluated by host-mediated in vitro and in vivo assay.
[Carcinogenicity]

o-Nitroanisole is reasonably anticipated to be a human carcinogenbased on sufficient evidence of carcinogenicity from studies in experimental animals.
[Purification Methods]

Purify it by repeated vacuum distillation in the absence of oxygen. [Beilstein 6 IV 1249.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Nitroanisole(91-23-6)MS
2-Nitroanisole(91-23-6)1HNMR
2-Nitroanisole(91-23-6)13CNMR
2-Nitroanisole(91-23-6)IR1
2-Nitroanisole(91-23-6)IR2
2-Nitroanisole(91-23-6)Raman
Tags:91-23-6 Related Product Information
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