| Identification | More | [Name]
4-Nitrotoluene | [CAS]
99-99-0 | [Synonyms]
1-METHYL-4-NITROBENZENE
2-METHYL-5-NITRO BENZENE
4-METHYLNITROBENZENE
4-NITROTOLUENE
4-Nitrotoluol
'LGC' (2401)
p-Nitrophenylmethane
P-NITROTOLUENE
1-Methyl-4-mitrobenaene
1-methyl-4-nitro-benzen
4-methyl-1-nitrobenzene
4-nitrobenzene
Benzene,1-methyl-4-nitro-
nci9579
NCI-C60537
nitrotoluenos
para-nitrotoluol
p-Methylnitrobenzene
p-nitro-toluen
PNT | [EINECS(EC#)]
202-808-0 | [Molecular Formula]
C7H7NO2 | [MDL Number]
MFCD00007366 | [Molecular Weight]
137.14 | [MOL File]
99-99-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Nitrotoluene is formed in 3 isomeric forms.
The o-and m-forms are yellow liquids or solids. The p-form
is a pale yellow crystalline solid. All have weak aromatic
odors. The Odor Thresholds are: 0.05 mg/L (o-isomer);
1.74 ppm (m-isomer). | [Melting point ]
52-54 °C (lit.) | [Boiling point ]
238 °C (lit.) | [bulk density]
700kg/m3 | [density ]
1.392 g/mL at 25 °C(lit.)
| [vapor density ]
4.7 (vs air)
| [vapor pressure ]
5 mm Hg ( 85 °C)
| [refractive index ]
1.5382 | [Fp ]
223 °F
| [storage temp. ]
0-6°C | [solubility ]
0.26g/l | [form ]
Crystalline Solid | [pka]
11.27 (Perrin, 1972) | [color ]
Yellow | [Specific Gravity]
1.392 | [Stability:]
Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents. | [explosive limit]
1.6%(V) | [Water Solubility ]
0.35 g/L (20 ºC) | [Specific Heat Capacity]
Cp(crystal):1.25638J/(g·K),at 25℃ | [Merck ]
14,6650 | [BRN ]
1906911 | [Henry's Law Constant]
5.64 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) | [Dielectric constant]
22.2（58.0℃） | [Exposure limits]
NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5
ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted). | [InChI]
1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 | [InChIKey]
ZPTVNYMJQHSSEA-UHFFFAOYSA-N | [SMILES]
Cc1ccc(cc1)[N+]([O-])=O | [LogP]
2.37 at 25℃ | [CAS DataBase Reference]
99-99-0(CAS DataBase Reference) | [IARC]
3 (Vol. 65) 1996 | [NIST Chemistry Reference]
Benzene, 1-methyl-4-nitro-(99-99-0) | [EPA Substance Registry System]
99-99-0(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS06,GHS08,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H301+H311+H331-H373-H411 | [Precautionary statements ]
P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314 | [Hazard Codes ]
T,N,F | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R33:Danger of cumulative effects.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
R11:Highly Flammable. | [Safety Statements ]
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S37:Wear suitable gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S27:Take off immediately all contaminated clothing .
S16:Keep away from sources of ignition-No smoking . | [OEB]
A | [OEL]
TWA: 2 ppm (11 mg/m3) [skin] | [RIDADR ]
UN 3446 6.1/PG 2
| [WGK Germany ]
2
| [RTECS ]
XT3325000
| [Autoignition Temperature]
734 °F | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29042000 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Chronic 2
STOT RE 2 | [Safety Profile]
A poison. Moderately
toxic by ingestion, inhalation, and
intraperitoneal routes. Mildly toxic by skin
contact. Mutation data reported.
Combustible when exposed to heat or
flame. To fight fire, use CO2, dry chemical,
foam. The residue from vacuum distillation
may explode spontaneously. Reacts with
sodmm to form an ignitable product.
Violent reaction with concentrated sulfuric
acid (above 16O°C), sulfuric acid + sulfur
trioxide (above 52°C). Mixtures with
tetranitromethane are sensitive high
explosives. May explode on standing. It has
been involved in plant scale explosions.
When heated to decomposition it emits
toxic fumes of NOx. See also other
methylnitrobenzene entries and NITRO
COMPOUNDS OF AROMATIC
HYDROCARBONS. | [Hazardous Substances Data]
99-99-0(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 1960 mg/kg LD50 dermal Rat > 16000 mg/kg |
| Hazard Information | Back Directory | [General Description]
A yellow liquid with a weak aromatic odor. Toxic. Insoluble in water. Combustible but may take some effort to ignite. Produces toxic oxides of nitrogen when burned. In a spill, immediate steps should be taken to limit its spread to the environment. Can easily penetrate the soil and contaminate groundwater or nearby streams. Used to make other chemicals. | [Reactivity Profile]
P-NITROTOLUENE(99-99-0) may react violently with sodium, tetranitromethane, strong oxidizing agents , sulfuric acid and other acids. | [Air & Water Reactions]
Insoluble in water. | [Hazard]
Toxic by inhalation, ingestion, skin absorption. Methemoglobinemia. Questionable carcinogen. | [Health Hazard]
INHALATION, INGESTION, OR SKIN: Headache, flushed face, dizziness, dyspnea (difficult breathing), cyanosis, nausea, vomiting, muscular weakness, rapid pulse and respiration, irritability, and convulsions. | [Potential Exposure]
The nitrotoluenes are used in the
production of toluidines and other dye intermediates.
All isomers are used in manufacture of agriculture and
rubber chemicals and in various dyes. | [Fire Hazard]
Special Hazards of Combustion Products: Yields toxic oxides of nitrogen when burning. | [First aid]
If this chemical gets into the eyes, remove any
contact lenses at once and irrigate immediately for at least
15 minutes, occasionally lifting upper and lower lids. Seek
medical attention immediately. If this chemical contacts the
skin, remove contaminated clothing and wash immediately
with soap and water. Seek medical attention immediately.
If this chemical has been inhaled, remove from exposure,
begin rescue breathing (using universal precautions, including
resuscitation mask) if breathing has stopped and CPR if
heart action has stopped. Transfer promptly to a medical
facility. When this chemical has been swallowed, get medical
attention. Give large quantities of water and induce
vomiting. Do not make an unconscious person vomit.
| [Shipping]
UN1664 Nitrotoluenes, (o-; m-; p-), Hazard
Class: 6.1; Labels: 6.1-Poisonous materials. | [Incompatibilities]
Decomposes on contact with strong oxidizers;
strong acids; reducing agents; strong bases; ammonia,
amines producing toxic fumes, causing fire and explosion
hazard. Heat above 190C may cause explosive decomposition.
Attacks some plastics, rubbers, and coatings. | [Chemical Properties]
light yellow crystals | [Chemical Properties]
Nitrotoluene is formed in 3 isomeric forms.
The o-and m-forms are yellow liquids or solids. The p-form
is a pale yellow crystalline solid. All have weak aromatic
odors. The Odor Thresholds are: 0.05 mg/L (o-isomer);
1.74 ppm (m-isomer). | [Waste Disposal]
Controlled incineration-care
must be taken to maintain complete combustion at all
times. Incineration of large quantities may require scrubbers
to control the emission of nitrogen oxides. | [Uses]
4-Nitrotoluene is an explosive material. | [Uses]
manufacture of dyes, toluidines, nitrobenzoic acids, agricultural and rubber chemicals. | [Uses]
used in the synthesis of
dyestuffs, explosives, and agricultural chemicals | [Definition]
ChEBI: 4-nitrotoluene is a mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position. | [Production Methods]
After distillation of the meta fraction from the isomer mixture, the still residues are cooled in a crystallizer to separate technical quality 4-nitrotoluene. Further distillation of nitrotoluene residues and fractions should be implemented with great care because this has been reported to cause explosions. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 79, p. 5528, 1957 DOI: 10.1021/ja01577a053
Tetrahedron Letters, 29, p. 97, 1988 DOI: 10.1016/0040-4039(88)80026-1 | [Environmental Fate]
Biological. Under anaerobic conditions using a sewage inoculum, 3- and 4-nitrotoluene both
degraded to toluidine (Hallas and Alexander, 1983). Robertson et al. (1992) reported that toluene
dioxygenases from Pseudomonas putida F1 and Pseudomonas sp. Strain JS 150 oxidized the
methyl group forming 2-methyl-5-nitrophenol and 3-methyl-6-nitrocatechol.
Chemical. Though no products were identified, 4-nitrotoluene (1.5 x 10-5 M) was reduced by
iron metal (33.3 g/L acid washed 18 to 20 mesh) in a carbonate buffer (1.5 x 10-2 M) at pH 5.9 and
15 °C. Based on the pseudo-first-order disappearance rate of 0.0335/min, the half-life was 20.7
min (Agrawal and Tratnyek, 1996). | [Purification Methods]
Dry it in air, then dry it in a vacuum desiccator over H2SO4. [Wright & Grilliom J Am Chem Soc 108 2340 1986, Beilstein 5 IV 848.] |
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