| Identification | More | [Name]
2-METHYL-4-NITROPHENOL | [CAS]
99-53-6 | [Synonyms]
2-HYDROXY-5-NITROTOLUENE
2-METHYL-4-NITROPHENOL
4-NITRO-O-CRESOL
4-nitro-o-creso
Phenol, 2-methyl-4-nitro-
4-NITRO-2-CRESOL
4-Nitro-o-cresol (OH=1)
2-METHYL-4-NITROPHENOL (4-NITRO-O-CRESOL)
4-NITRO-0-CRESOL
4-Nitro-2-methylphenol | [EINECS(EC#)]
202-763-7 | [Molecular Formula]
C7H7NO3 | [MDL Number]
MFCD01734013 | [Molecular Weight]
153.14 | [MOL File]
99-53-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
93-98 °C(lit.) | [Boiling point ]
266.03°C (rough estimate) | [density ]
1.2744 (estimate) | [refractive index ]
1.5744 (estimate) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
Solid | [pka]
7.43±0.22(Predicted) | [color ]
Off-White | [InChI]
InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3 | [InChIKey]
KDQPMQNHVQVVMR-UHFFFAOYSA-N | [SMILES]
C1(O)=CC=C([N+]([O-])=O)C=C1C | [CAS DataBase Reference]
99-53-6(CAS DataBase Reference) | [EPA Substance Registry System]
99-53-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 2446 6.1/PG 3 | [WGK Germany ]
3 | [RTECS ]
GP2700000 | [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2908990000 | [Toxicity]
LD50 oral(mouse) 390 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
white crystals | [Uses]
2-Methyl-4-nitrophenol is suitable as a target compound in the study on measurement of methylnitrophenol concentrations and stable isotope ratios in the atmospheric particulate matter and as an internal standard in the determination of monoaromatic nitro compounds in atmospheric aerosols using high performance liquid chromatography electrospray tandem mass spectrometry (HPLC/ESI-MS/MS) method.
It may be used as starting material in the synthesis of 2-bromo-4-nitro-6-methylphenol. | [Preparation]
2-methyl-4-nitrophenol is prepared by the reaction of 2-methyl-4-nitroaniline with sodium hydroxide and hydrochloric acid. | [General Description]
2-Methyl-4-nitrophenol is a nitrophenol derivative. The study of its crystal structure reveals the molecule to be nearly planar. Its synthesis has been reported. FT-IR and FT-Raman spectra and molecular modeling of 2-methyl-4-nitrophenol have been analyzed. It is reported to be one of the compounds in diesel exhaust particles (DEP) that shows potential vasodilatation activity in rats. Its reduction catalyzed by porous carbon-encapsulated gold nanoparticles has been investigated. |
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