CAS 104-85-8|p-Tolunitrile
Introduction：Basic information about CAS 104-85-8|p-Tolunitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | p-Tolunitrile | ||
|---|---|---|---|
| CAS Number | 104-85-8 | Molecular Weight | 117.148 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 218.4±9.0 °C at 760 mmHg |
| Molecular Formula | C8H7N | Melting Point | 26-28 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 85.6±11.2 °C |
| Symbol | GHS07, GHS08 | Signal Word | Danger |
Names
| Name | p-Tolunitrile |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 218.4±9.0 °C at 760 mmHg |
| Melting Point | 26-28 °C(lit.) |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.148 |
| Flash Point | 85.6±11.2 °C |
| Exact Mass | 117.057846 |
| PSA | 23.79000 |
| LogP | 2.12 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.531 |
| InChIKey | VCZNNAKNUVJVGX-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C#N)cc1 |
| Stability | Stable. Incompatible with strong oxidizing agents, strong bases. |
| Water Solubility | <0.1 g/100 mL at 17 ºC |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,904,1986
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,904,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1080 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 5,161,1899
Safety Information
| Symbol | GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H319-H334-H335 |
| Precautionary Statements | P261-P305 + P351 + P338-P342 + P311 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/38 |
| Safety Phrases | S26-S36/37-S37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | XV0700000 |
| Packaging Group | I; II |
| Hazard Class | 6.1 |
| HS Code | 29269095 |
Customs
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| 4-Methylbenzyl cycnide |
| p-Tolunitril |
| p-Tolunitrile |
| p-Tolumitrile |
| MFCD00001827 |
| Benzonitrile, 4-methyl- |
| CNT |
| 4-Methylbenzonitrile |
| 4-Cyanotoluene |
| p-Tolylnitrile |
| p-toluonitrile |
| 4-TOLUNITRILE |
| P-Tounitrile |
| p-Toluonitril |
| EINECS 203-244-8 |
