| Identification | More | [Name]
3-Nitrotoluene | [CAS]
99-08-1 | [Synonyms]
1-METHYL-3-NITROBENZENE
3-METHYLNITROBENZENE
3-NITROTOLUENE
m-nitrophenylmethane
M-NITROTOLUENE
m-Nitrotoluol
1-Methyl-3-mitrobenzene
1-methyl-3-nitro-benzen
3-methyl-1-nitrobenzene
3-Nitrobenzene
3-Nitrotoluol
Benzene,1-methyl-3-nitro-
meta-nitrotoluol
m-Methylnitrobenzene
m-mononitrotoluene
m-nitro-toluen
MNT
nsc9578
Toluene, m-nitro-
toluene,3-nitro- | [EINECS(EC#)]
202-728-6 | [Molecular Formula]
C7H7NO2 | [MDL Number]
MFCD00007265 | [Molecular Weight]
137.14 | [MOL File]
99-08-1.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 ]
15 °C | [Boiling point ]
230-231 °C(lit.) | [density ]
1.157 g/mL at 25 °C(lit.)
| [vapor density ]
4.73 (vs air)
| [vapor pressure ]
1 mm Hg ( 50.2 °C)
| [refractive index ]
n20/D 1.541(lit.)
| [Fp ]
215 °F
| [storage temp. ]
2-8°C | [solubility ]
0.419g/l | [form ]
Liquid | [color ]
Clear yellow to yellow-brownish | [Stability:]
Stable. Combustible. Incompatible with reducing agents, strong oxidizing agents, strong bases. | [explosive limit]
2.2%(V) | [Water Solubility ]
insoluble | [Merck ]
14,6650 | [BRN ]
1906910 | [Henry's Law Constant]
9.31 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) | [Dielectric constant]
23.800000000000001 | [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). | [Major Application]
environmental | [InChI]
1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 | [InChIKey]
QZYHIOPPLUPUJF-UHFFFAOYSA-N | [SMILES]
Cc1cccc(c1)[N+]([O-])=O | [LogP]
2.4 | [Surface tension]
41.4mN/m at 20°C | [Uses]
Organic synthesis. | [CAS DataBase Reference]
99-08-1(CAS DataBase Reference) | [IARC]
3 (Vol. 65) 1996 | [NIST Chemistry Reference]
Benzene, 1-methyl-3-nitro-(99-08-1) | [EPA Substance Registry System]
99-08-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS07,GHS08,GHS09 | [Signal word ]
Warning | [Hazard statements ]
H302-H373-H411 | [Precautionary statements ]
P260-P264-P270-P273-P301+P312-P314 | [Hazard Codes ]
T,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 ]
S36/37:Wear suitable protective clothing and 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 .
S37:Wear suitable gloves .
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 1664 6.1/PG 2
| [WGK Germany ]
2
| [RTECS ]
XT2975000
| [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. 4 Oral
Aquatic Chronic 2
STOT RE 2 | [Hazardous Substances Data]
99-08-1(Hazardous Substances Data) | [Toxicity]
Acute oral LD50 for guinea pigs 3,600 mg/kg, mice 330 mg/kg, rats 1,072 mg/kg, rabbits 2,400
(quoted, RTECS, 1985). |
| Hazard Information | Back Directory | [General Description]
Yellow crystals that melt at 59°F to a yellow liquid. Often therefore encountered as a liquid. Flash point 223°F. Boiling point 450°F. Insoluble in water. Toxic by inhalation and ingestion. | [Reactivity Profile]
M-NITROTOLUENE(99-08-1) reacts with sulfuric acid, strong oxidizing agents and reducing agents. | [Air & Water Reactions]
Insoluble in water. | [Hazard]
Toxic by inhalation, ingestion, skin absorption. Methemoglobinemia. Probable carcinogen. | [Health Hazard]
INHALATION, INGESTION OR SKIN ABSORPTION: Headache, flushing of face, dizziness, difficult breathing, cyanosis, nausea, vomiting, muscular weakness, increased pulse and respiratory rate, irritability and convulsions. EYES: Slight irrita-tion. SKIN: Slight irritation. | [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. | [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]
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). | [Chemical Properties]
yellow-green liquid | [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. | [Physical properties]
Clear, yellowish liquid with an aromatic odor. Odor threshold concentration is 600 ppm (quoted,
Amoore and Hautala, 1983). | [Application]
Catalytic hydrogenation or reduction with iron converts 3-nitrotoluene to m-toluidine, which provides important coupling components for azo dyes, usually after N-alkylation. | [Definition]
ChEBI: A mononitrotoluene carrying a nitro group at position 3. | [Preparation]
3-Nitrotoluene is obtained by fractional distillation and purification after nitration of toluene with mixed acid below 50℃. Toluene nitration can get different products with different reaction conditions and catalysts, such as o-nitrotoluene, p-nitrotoluene, m-nitrotoluene, 2,4-dinitrotoluene and 2,4,6-trinitrotoluene Toluene etc. | [Environmental Fate]
Biological. Under anaerobic conditions using a sewage inoculum, 3-nitrotoluene 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 3-nitrobenzyl alcohol. | [Purification Methods]
Dry 3-nitrotoluene over P2O5 for 24hours, then fractionally distil it under reduced pressure. [Clark & Taylor Org. Synth Coll Vol I 415 1941, Beilstein 5 IV 847.] |
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Energy Chemical
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Maya High Purity Chemicals
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Candia Thamtech Company Limited
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