A6156312
p-Nitrotoluene Standard , 99% , 99-99-0
Synonym(s):
1-Methyl-4-nitrobenzene;4-Nitrotoluene;p-Nitrotoluene
CAS NO.：99-99-0
Empirical Formula: C7H7NO2
Molecular Weight: 137.14
MDL number: MFCD00007366
EINECS: 202-808-0
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | 52-54 °C (lit.) |
| Boiling point: | 238 °C (lit.) |
| bulk density | 700kg/m3 |
| Density | 1.392 g/mL at 25 °C (lit.) |
| vapor density | 4.7 (vs air) |
| vapor pressure | 5 mm Hg ( 85 °C) |
| refractive index | 1.5382 |
| Flash point: | 223 °F |
| storage temp. | 2-8°C |
| solubility | 0.26g/l |
| pka | 11.27 (Perrin, 1972) |
| form | Crystalline Solid |
| color | Yellow |
| Specific Gravity | 1.392 |
| explosive limit | 1.6%(V) |
| Water Solubility | 0.35 g/L (20 ºC) |
| Merck | 14,6650 |
| BRN | 1906911 |
| Henry's Law Constant | 5.64 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
| Exposure limits | ACGIH TLV-TWA:2 ppm (adopted) OSHA PEL-TWA:5 ppm (30 mg/m³) NIOSH REL-TWA:2 ppm;REL-IDLH:200 ppm |
| Dielectric constant | 22.2（58.0℃） |
| Stability: | Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents. |
| InChI | 1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 |
| InChIKey | ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)[N+]([O-])=O |
| LogP | 2.37 at 25℃ |
| CAS DataBase Reference | 99-99-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-methyl-4-nitro-(99-99-0) |
| IARC | 3 (Vol. 65) 1996 |
| EPA Substance Registry System | p-Nitrotoluene (99-99-0) |
Description and Uses
used in the synthesis of dyestuffs, explosives, and agricultural chemicals
Safety
| Symbol(GHS) |    GHS06,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H330-H301+H311-H370-H373-H411 |
| Precautionary statements | P501-P273-P260-P270-P271-P264-P280-P284-P391-P308+P311-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P310-P403+P233-P405 |
| PPE | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard Codes | T,N,F,Xn |
| Risk Statements | 23/24/25-33-51/53-36/37/38-11-36-20/21/22 |
| Safety Statements | 28-37-45-61-28A-27-16-36/37-26 |
| RIDADR | UN 3446 (NITROTOLUENES, SOLID) |
| OEB | A |
| OEL | TWA: 2 ppm (11 mg/m3) [skin] |
| WGK Germany | 2 |
| RTECS | XT3325000 |
| Autoignition Temperature | 734 °F |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29042000 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Aquatic Chronic 2 STOT RE 2 |
| Hazardous Substances Data | 99-99-0(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 1960 mg/kg LD50 dermal Rat > 16000 mg/kg |
| REACH Registrations | Active |