2-Chlorotoluene
ALDRICH/111910 - 99%
Synonym: 1-
CAS Number: 95-49-8
Empirical Formula (Hill Notation): C7H7Cl
Molecular Weight: 126.58
EC Number: 202-424-3
MDL Number: MFCD00000562
Linear Formula: CH3C6H4Cl
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 111910-100G.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 111910-1KG.
| assay | 99% |
| bp | 157-159 °C (lit.) |
| density | 1.083 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C7H7Cl/c1-6-4-2-3-5-7( |
| InChI key | IBSQPLPBRSHTTG-UHFFFAOYSA |
| mp | −36 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | Cc1ccccc1Cl |
| solubility | H2O: soluble |
| vapor density | 4.38 (vs air) |
| vapor pressure | 10 mmHg ( 43 °C) |
| Application: | 2-Chlorotoluene can be used as a precursor to synthesize aryl coupling products via palladium-catalyzed Negishi cross-coupling. It can also be used in the Buchwald-Hartwig amination to synthesize arylamines. |
| General description: | 2-Chlorotoluene can be mineralized completely by Rhodococcus, strain OCT 10 DSM 45596(T). It is used in the preparation of 3-chloro-4-methylcatechol and 4-chloro-3-methylcatechol. The oxidation of 2-chlorotoluene is very well catalyzed by the enzymes: toluene dioxygenase of P. putida F1 and chlorobenzene dioxygenase from Burkholderia, strain PS12. |
| Packaging: | 1, 4 kg in glass bottle |
| Packaging: | 100 g in glass bottle |
| Symbol |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Warning |
| Hazard statements | H226 - H332 - H361d - H410 |
| Precautionary statements | P201 - P202 - P210 - P273 - P304 + P340 + P312 - P308 + P313 |
| Hazard Codes | Xn,N |
| Risk Statements | 63-10-20-51/53 |
| Safety Statements | 24/25-36/37-61 |
| RIDADR | UN 2238 3 / PGIII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 109.4 °F |
| Flash Point(C) | 43 °C |
| Purity | 99% |
| bp | 157-159 °C (lit.) |
| mp | −36 °C (lit.) |
| Density | 1.083 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |