Introduction:Basic information about CAS 13816-33-6|cuminyl nitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | cuminyl nitrile |
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| CAS Number | 13816-33-6 | Molecular Weight | 145.20100 |
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| Density | 0.96 g/cm3 | Boiling Point | 88-90ºC (5 torr) |
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| Molecular Formula | C10H11N | Melting Point | 51.5°C (estimate) |
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| MSDS | USA | Flash Point | 93.6ºC |
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Names
| Name | 4-Isopropylbenzonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.96 g/cm3 |
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| Boiling Point | 88-90ºC (5 torr) |
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| Melting Point | 51.5°C (estimate) |
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| Molecular Formula | C10H11N |
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| Molecular Weight | 145.20100 |
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| Flash Point | 93.6ºC |
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| Exact Mass | 145.08900 |
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| PSA | 23.79000 |
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| LogP | 2.68168 |
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| Vapour Pressure | 0.0623mmHg at 25°C |
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| Index of Refraction | 1.518 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DI4650000
- CHEMICAL NAME :
- Benzonitrile, p-isopropyl-
- CAS REGISTRY NUMBER :
- 13816-33-6
- BEILSTEIN REFERENCE NO. :
- 1932883
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H11-N
- MOLECULAR WEIGHT :
- 145.22
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983
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Safety Information
| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S37/39 |
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| RTECS | DI4650000 |
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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
| MFCD00052966 |
| 4-ISOPROPYLBENZONITRILE |
| 4-propan-2-ylbenzonitrile |
| EINECS 237-492-3 |