Name | 3-Nitro-o-xylene |
Synonyms | 3-NITRO-2-XYLENE 3-Nitro-o-xylene 3-NITRO-O-XYLENE o-Xylene, 3-nitro- 3-nitro-ortho-xylene 2-METHYL-3-NITROTOLUENE 2,3-Dimethylnitrobenzene 1,2-DIMETHYL-3-NITROBENZENE 2,3-dimethyl-1-nitrobenzene 3-NITRO-1,2-DIMETHYLBENZENE 1,2-Dimethyl-3-nitrobenzene 1,2-dimethyl-3-nitro-benzen 3-Nitro-4-Chloro-5-Sulfamoyl Benzoic Acid (3-Nitro-o-Xylene) |
CAS | 83-41-0 |
EINECS | 201-474-3 |
InChI | InChI=1/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3 |
Molecular Formula | C8H9NO2 |
Molar Mass | 151.16 |
Density | 1.129g/mLat 25°C(lit.) |
Melting Point | 7-9°C(lit.) |
Boling Point | 245°C(lit.) |
Flash Point | 226°F |
Water Solubility | 117 mg/L (25 ºC) |
Solubility | 117mg/l |
Appearance | clear liquid |
Color | Light yellow to Amber to Dark green |
BRN | 2045105 |
Storage Condition | Store below +30°C. |
Refractive Index | n20/D 1.543(lit.) |
Physical and Chemical Properties | Colorless liquid, needle-like crystals at low temperature. Melting point 15 ℃, boiling point 240 ℃(245 ℃),131 ℃(2.66kPa),72 ℃(0.133kPa), relative density 1.1402(20/4 ℃), refractive index 1.5441, flash Point 107 °c. Soluble in ethanol. Can volatilize with water vapor. |
Use | Used as a pharmaceutical intermediate for the production of anti-inflammatory analgesic methanoic acid |
Risk Codes | 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. R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R20/21 - Harmful by inhalation and in contact with skin. |
Safety Description | S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S13 - Keep away from food, drink and animal foodstuffs. S36/37 - Wear suitable protective clothing and gloves. S23 - Do not breathe vapour. S9 - Keep container in a well-ventilated place. |
UN IDs | UN 3082 9/PG 3 |
WGK Germany | 2 |
TSCA | Yes |
HS Code | 29042000 |
Hazard Class | 6.1 |
Packing Group | II |
Raw Materials | o-Xylene |
Downstream Products | 2,3-Dimethylaniline |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Use | for pharmaceutical intermediates, for the production of anti-inflammatory analgesic methanoic acid |
production method | is obtained by nitration of O-xylene. O-xylene was cooled to − 10 ° C., and a pre-cooled mixed acid (prepared by 1 part of 66% nitric acid and 2 parts of 98% sulfuric acid) was added dropwise with stirring. The temperature of dropwise addition was controlled at -10 ~-5 ℃. After addition, stirring was continued for 0.5h. The waste acid in the lower layer was separated by standing, and the nitrifying liquid in the upper layer was sequentially washed with water, 5% sodium hydroxide solution and water. Then, steam distillation was carried out first, and then fractionated to obtain 3-nitroo-xylene. The yield was 50%. |
toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |