Nitrobenzene
SIAL/06084 - PESTANAL®, analytical standard
CAS Number: 98-95-3
Empirical Formula (Hill Notation): C6H5NO2
Molecular Weight: 123.11
EC Number: 202-716-0
MDL Number: MFCD00007043
Linear Formula: C6H5NO2
Product Type: Chemical
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| assay | ≥99.0% (GC) |
| autoignition temp. | 899 °F |
| bp | 210-211 °C (lit.) |
| density | 1.196 g/mL at 25 °C (lit.) |
| expl. lim. | 40 % |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C6H5NO2/c8-7(9)6-4-2-1 |
| InChI key | LQNUZADURLCDLV-UHFFFAOYSA |
| mp | 5-6 °C (lit.) |
| product line | PESTANAL® |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | [O-][N+](=O)c1ccccc1 |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 4.2 (vs air) |
| vapor pressure | 0.15 mmHg ( 20 °C) |
| 50 mmHg ( 120 °C) |
| Application: | Nitrobenzene may be used as a reference standard for the analysis of nitrobenzene in soil by gas chromatography (GC) with electron capture detector (ECD) as well as high performance liquid chromatography (HPLC) with ultraviolet (UV) detector and in marine water samples from German Bight by GC coupled to mass spectrometer (MS). It may be used as a reference standard for the determination of nitrobenzene in cigarette smoke by solid phase extraction (SPE) followed by analysis using heart-cutting two-dimensional GC equipped with ECDs. |
| General description: | Nitrobenzene is a carcinogenic compound which has been employed extensively in dyes, pesticides and explosives industries. |
| General description: | This compound is listed in the SVHC (Substances of very high concern) candidate list  of ECHA (European Chemicals Agency) |
| Legal Information: | PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany |
| Symbol |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301 + H311 + H331 - H351 - H360F - H372 - H412 |
| Precautionary statements | P201 - P273 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311 |
| Hazard Codes | T |
| Risk Statements | 60-23/24/25-40-48/23/24/25-52/53 |
| Safety Statements | 53-45 |
| RIDADR | UN 1662 6.1 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 190.4 °F - closed cup |
| Flash Point(C) | 88.0 °C - closed cup |
| Purity | ≥99.0% (GC) |
| bp | 210-211 °C (lit.) |
| mp | 5-6 °C (lit.) |
| Density | 1.196 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |