Introduction：Basic information about 2-Chloro-6-nitrotoluene CAS 83-42-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Chloro-6-nitrotoluene Basic informationPhotodissociation
| Product Name: | 2-Chloro-6-nitrotoluene |
| Synonyms: | 1-chloro-2-methyl-3-nitro-benzen;2-Chloro-6-nitrotoluene,99%;2-CHLORO-6-NITROTOLUENE FOR SYNTHESIS A;Chloro-6-nitrotolu;3-Chloro-2-methylnitrobenzene, 1-Chloro-2-methyl-3-nitrobenzene;2-Chloro-6-nit;2-[4-(2-aminoethylthio)-2-methyl-1-imidazolyl]ethanol;2-chloro-6-nitro-toluen |
| CAS: | 83-42-1 |
| MF: | C7H6ClNO2 |
| MW: | 171.58 |
| EINECS: | 201-475-9 |
| Product Categories: | Aromatic Hydrocarbons (substituted) & Derivatives;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;bc0001 |
| Mol File: | 83-42-1.mol |
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2-Chloro-6-nitrotoluene Chemical Properties
| Melting point | 34-36 °C (lit.) |
| Boiling point | 238 °C (lit.) |
| density | 1.3246 (rough estimate) |
| vapor pressure | 2-770Pa at 20-100℃ |
| refractive index | 1.5377 (estimate) |
| Fp | 257 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.092g/l |
| form | Crystalline |
| color | White to Orange to Green |
| Water Solubility | 92 mg/L (20 ºC) |
| BRN | 1239924 |
| InChI | 1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3 |
| InChIKey | XCSNRORTQRKCHB-UHFFFAOYSA-N |
| SMILES | Cc1c(Cl)cccc1[N+]([O-])=O |
| LogP | 3.09 |
| CAS DataBase Reference | 83-42-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-chloro-2-methyl-3-nitro-(83-42-1) |
| EPA Substance Registry System | 1-Chloro-2-methyl-3-nitrobenzene (83-42-1) |
Safety Information
| Hazard Codes | Xn,Xi,N |
| Risk Statements | 22-36/37/38-20/21/22-52/53 |
| Safety Statements | 36/37/39-26-61 |
| RIDADR | UN 3457 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | XS9130000 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29039990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Aquatic Chronic 2 |
2-Chloro-6-nitrotoluene Usage And Synthesis
| Photodissociation | Photodissociation of 2-chloro-6-nitrotoluene (ClNT) at 193, 248 and 266 nm and nitrocyclopentane (NCP) at 193 nm leads to the formation of OH, as detected by laser-induced fluorescence (LIF). The nascent OH produced from the photolysis of ClNT at all the wavelengths is vibrationally cold, with the Boltzmann type rotational state distributions. However, the nascent OH product from NCP is in the ground, and vibrationally excited states with the measured average relative population in v"= 1 to that in v"= 0 of 0.12 ± 0.03, and these levels are characterized by rotational temperatures of 650 ± 180 K and 1570 ± 90 K, respectively[1]. |
| Chemical Properties | yellow to light brown crystalline mass |
| Uses | 2-Chloro-6-nitrotoluene is used as a reagent in the synthesis of 3-Chloro-2-methylaniline (C367805); a herbicide intermediate. |
| Production Methods | Chlorination of 2-nitrotoluene, in a process similar to the chlorination of nitrobenzene, gives a mixture of 6-chloro (80 %) and 4-chloro (20 %) isomers. The major component 2-Chloro-6-nitrotoluene is separated by vacuum distillation. |
| Definition | ChEBI: 2-chloro-6-nitrotoluene is a nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 ℃) solid. It is a nitrotoluene, a member of monochlorobenzenes and a volatile organic compound. |
| References | [1] Monali N. Kawade. “Photodissociation dynamics of 2-chloro-6-nitrotoluene and nitrocyclopentane in gas phase: Laser-induced fluorescence detection of OH.” Chemical Physics 443 (2014): Pages 123-132. |
2-Chloro-6-nitrotoluene Preparation Products And Raw materials
| Raw materials | Ferric chloride-->2-Nitrochlorobenzene-->2-Nitrotoluene-->2-CHLORO-3-NITROTOLUENE-->2-Chlorotoluene-->2-Chloro-5-nitrotoluene-->2-Chloro-4-nitrotoluene-->Nitric acid |
| Preparation Products | 2,6-Dichlorotoluene-->2,4-Dichlorotoluene-->2,6-Dichlorobenzaldehyde-->3-Chloro-2-methylaniline-->4-Chloro-2-nitrotoluene-->Ethyl-4-Chloroindole-2-Carboxylate-->1-(Benzyloxy)-2-methyl-3-nitrobenzene-->2-CHLORO-6-NITROBENZALDEHYDE-->4-Chloroindoline-->3-Chloro-2-methylbenzoic acid |
