Introduction：Basic information about CAS 22884-95-3|3,4-Dimethylbenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,4-Dimethylbenzonitrile |
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| CAS Number | 22884-95-3 | Molecular Weight | 131.174 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 253.5±9.0 °C at 760 mmHg |
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| Molecular Formula | C9H9N | Melting Point | 67 °C |
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| MSDS | / | Flash Point | 107.1±11.2 °C |
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Names
| Name | 3,4-Dimethylbenzonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 253.5±9.0 °C at 760 mmHg |
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| Melting Point | 67 °C |
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| Molecular Formula | C9H9N |
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| Molecular Weight | 131.174 |
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| Flash Point | 107.1±11.2 °C |
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| Exact Mass | 131.073502 |
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| PSA | 23.79000 |
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| LogP | 2.58 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.526 |
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| InChIKey | OWISXYQFTOYGRO-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(C#N)cc1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DI4357500
- CHEMICAL NAME :
- Benzonitrile, 3,4-dimethyl-
- CAS REGISTRY NUMBER :
- 22884-95-3
- BEILSTEIN REFERENCE NO. :
- 0970523
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H9-N
- MOLECULAR WEIGHT :
- 131.19
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S26-S36/37/39 |
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| RIDADR | 3276 |
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| RTECS | DI4357500 |
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| Packaging Group | III |
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| HS Code | 2926909090 |
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Preparation
Customs
| HS Code | 2926909090 |
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| 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
| MFCD00016380 |
| Benzonitrile, 3,4-dimethyl- |
| 3,4-Dimethylbenzonitrile |
| 3,4-o-xylonitrile |
| Benzonitrile,3,4-dimethyl |
| EINECS 245-293-8 |
| 3,4-Dimethyl-1-benzonitrile |
| 3,4-dimethylbenzylnitrile |
| 3,4-dimethylbenzenecarbonitrile |
| 4-Cyano-o-xylene |
| 3,4-dimethyl-benzonitrile |
| 3,4-Dimethyl-benzonitril |
| 1,2-Dimethyl-4-cyanobenzene |
