1,2,4-Trimethylbenzene
ALDRICH/T73601 - 98%
Synonym: Pseudocumene
CAS Number: 95-63-6
Empirical Formula (Hill Notation): C9H12
Molecular Weight: 120.19
EC Number: 202-436-9
MDL Number: MFCD00008527
Linear Formula: C6H3(CH3)3
Product Type: Chemical
| assay | 98% |
| autoignition temp. | 959 °F |
| bp | 168 °C (lit.) |
| density | 0.876 g/mL at 20 °C (lit.) |
| expl. lim. | 6.4 % |
| InChI | 1S/C9H12/c1-7-4-5-8(2)9(3 |
| InChI key | GWHJZXXIDMPWGX-UHFFFAOYSA |
| mp | −44 °C (lit.) |
| refractive index | n |
| SMILES string | Cc1ccc(C)c(C)c1 |
| vapor density | 4.1 (vs air) |
| vapor pressure | 4.5 mmHg ( 37.7 °C) |
| Application: | 1,2,4-Trimethylbenzene can be used as a reactant to synthesize: • 2,3,5-Trimethylbenzoqui • 1,2,4,5-Tetramethylbenz • 1,2,4-Oxadiazole derivatives via tandem reaction with nitroalkenes and nitriles in the presence of superacid CF3SO3H (TfOH). |
| Packaging: | 2 L in glass bottle |
| Packaging: | 25, 500 mL in glass bottle |
| Symbol |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H226 - H304 - H315 - H319 - H332 - H335 - H411 |
| Precautionary statements | P210 - P273 - P301 + P310 + P331 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn,N |
| Risk Statements | 10-20-36/37/38-51/53-65 |
| Safety Statements | 26-61-62 |
| RIDADR | UN 3295C 3 / PGIII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 118.4 °F - closed cup |
| Flash Point(C) | 48.0 °C - closed cup |
| Purity | 98% |
| bp | 168 °C (lit.) |
| mp | −44 °C (lit.) |
| Density | 0.876 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |