Introduction：Basic information about CAS 13730-09-1|2,5-Dimethylbenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,5-Dimethylbenzonitrile |
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| CAS Number | 13730-09-1 | Molecular Weight | 131.17400 |
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| Density | 0.99g/cm3 | Boiling Point | 226.1ºC at 760mmHg |
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| Molecular Formula | C9H9N | Melting Point | 13ºC |
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| MSDS | / | Flash Point | 95.7ºC |
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Names
| Name | 2,5-Dimethylbenzonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.99g/cm3 |
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| Boiling Point | 226.1ºC at 760mmHg |
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| Melting Point | 13ºC |
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| Molecular Formula | C9H9N |
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| Molecular Weight | 131.17400 |
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| Flash Point | 95.7ºC |
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| Exact Mass | 131.07300 |
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| PSA | 23.79000 |
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| LogP | 2.17508 |
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| Vapour Pressure | 0.0831mmHg at 25°C |
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| Index of Refraction | 1.525 |
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| InChIKey | OZOQTENKIVKILK-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(C)c(C#N)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DI4357900
- CHEMICAL NAME :
- Benzonitrile, 2,5-dimethyl-
- CAS REGISTRY NUMBER :
- 13730-09-1
- LAST UPDATED :
- 199209
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H9-N
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 gm/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 :
- 1700 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
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | 26-36/37/39 |
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| RIDADR | UN 3276 |
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| HS Code | 2926909090 |
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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
| EINECS 237-297-3 |
| 2,5-dimethylbenzonitrile |
| MFCD00001793 |
