Introduction:Basic information about CAS 1075-76-9|3-Anilinopropionitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Anilinopropionitrile |
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| CAS Number | 1075-76-9 | Molecular Weight | 146.18900 |
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| Density | 1.08 g/cm3 | Boiling Point | 160 °C / 6mmHg |
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| Molecular Formula | C9H10N2 | Melting Point | 52-53 °C(lit.) |
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| MSDS | / | Flash Point | >230 °F |
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Names
| Name | 3-Anilinopropionitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.08 g/cm3 |
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| Boiling Point | 160 °C / 6mmHg |
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| Melting Point | 52-53 °C(lit.) |
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| Molecular Formula | C9H10N2 |
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| Molecular Weight | 146.18900 |
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| Flash Point | >230 °F |
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| Exact Mass | 146.08400 |
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| PSA | 35.82000 |
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| LogP | 2.08518 |
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| Vapour Pressure | 0.00018mmHg at 25°C |
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| Index of Refraction | 1.5632 (25ºC) |
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| InChIKey | FENJKTQEFUPECW-UHFFFAOYSA-N |
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| SMILES | N#CCCNc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UG0770000
- CHEMICAL NAME :
- Propionitrile, 3-anilino-
- CAS REGISTRY NUMBER :
- 1075-76-9
- BEILSTEIN REFERENCE NO. :
- 0509166
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C9-H10-N2
- MOLECULAR WEIGHT :
- 146.21
- WISWESSER LINE NOTATION :
- NC2MR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(9),50,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2560 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(9),32,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 4500 mg/kg
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
- REFERENCE :
- PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 32,223,1980
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R20/21 |
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| Safety Phrases | S26-S37/39-S36/37 |
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| WGK Germany | 3 |
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| RTECS | UG0770000 |
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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
| 3-anilinopropanenitrile |
| EINECS 214-057-6 |
| MFCD00001953 |
| N-(2-Cyanoethyl)aniline |