2-Methyl-4-nitrophenol

Names

[ CAS No. ]:
99-53-6

[ Name ]:
2-Methyl-4-nitrophenol

[Synonym ]:
EINECS 202-763-7
2-Methyl-4-nitrophenol
MFCD01734013
Phenol, 2-methyl-4-nitro-

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
311.0±30.0 °C at 760 mmHg

[ Melting Point ]:
93-98 °C(lit.)

[ Molecular Formula ]:
C₇H₇NO₃

[ Molecular Weight ]:
153.135

[ Flash Point ]:
143.1±13.0 °C

[ Exact Mass ]:
153.042587

[ PSA ]:
66.05000

[ LogP ]:
2.03

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.597

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GP2700000

CHEMICAL NAME :: o-Cresol, 4-nitro-

CAS REGISTRY NUMBER :: 99-53-6

BEILSTEIN REFERENCE NO. :: 1365535

LAST UPDATED :: 199710

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H7-N-O3

MOLECULAR WEIGHT :: 153.15

WISWESSER LINE NOTATION :: WNR DQ C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 390 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 32,171,1977

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
UN 2446 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
GP2700000

[ HS Code ]:
2908999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

o-cresol
5-Nitroso-2-cresol
(E)-2,4-dinitrobenzaldehyde O-(2-methyl-4-nitrophenyl) oxime
3-Nitrotoluene
2-Methyl-4-nitroanisole
p-Amino-o-cresol
1-Fluoro-2-methyl-4-nitrobenzene
MNA
Carbonic acid,bis(2-methylphenyl) ester
o-Toluidine HCl

DownStream

2-Methyl-4-nitroanisole
p-Amino-o-cresol
Dinitro-ortho-cresol
3-methyl-p-anisidine
tert-butyl 4-(2-methyl-4-nitrophenoxy)piperidine-1-carboxylate
4-Chloro-2-methylphenol
3-Methyl-4-(trifluoromethoxy)aniline
2-Methoxy-1-methyl-3,5-dinitrobenzene
2-methyl-4,6-dinitro-aniline
1-(difluoromethoxy)-2-methyl-4-nitrobenzene

Customs

[ HS Code ]: 2908999090

[ Summary ]:
2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

Molecular modeling and spectral comparison for the change in methyl position of nitrophenol compounds 2-methyl-4-nitrophenol and 3-methyl-4-nitrophenol: a density functional theoretical study.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 107 , 188-95, (2013)

FT-IR and FT-Raman spectra of 2-methyl-4-nitrophenol (PNOC) and 3-methyl-4-nitrophenol (PNMC) were recorded and analyzed in the solid phase in the region 4000-400 cm(-1) and 3500-50 cm(-1) respectivel...

Liquid chromatography tandem mass spectrometry method for characterization of monoaromatic nitro-compounds in atmospheric particulate matter.

J. Chromatogr. A. 1268 , 35-43, (2012)

Nitrogen-containing organic compounds in the atmosphere have drawn attention owing to their impact on aerosol chemistry and physics and their potential adverse effects on the biosphere. Among them, ni...

Gold nanoparticles encapsulated in porous carbon.

Chem. Commun. (Camb.) 48(90) , 11094-11096, (2012)

Gold nanoparticles encapsulated in porous carbon spheres with high surface areas (~800 m(2) g(-1)) have been synthesized by ultrasonic spray pyrolysis (USP). The porous carbon-encapsulated gold nanopa...