Introduction：Basic information about CAS 52709-87-2|4OCB, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4OCB |
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| CAS Number | 52709-87-2 | Molecular Weight | 251.323 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 405.5±38.0 °C at 760 mmHg |
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| Molecular Formula | C17H17NO | Melting Point | 77 °C |
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| MSDS | / | Flash Point | 170.3±20.6 °C |
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Names
| Name | 4-(4-butoxyphenyl)benzonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 405.5±38.0 °C at 760 mmHg |
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| Melting Point | 77 °C |
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| Molecular Formula | C17H17NO |
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| Molecular Weight | 251.323 |
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| Flash Point | 170.3±20.6 °C |
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| Exact Mass | 251.131012 |
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| PSA | 33.02000 |
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| LogP | 4.70 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.573 |
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| InChIKey | KPQVQWUNELODQE-UHFFFAOYSA-N |
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| SMILES | CCCCOc1ccc(-c2ccc(C#N)cc2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DV1764000
- CHEMICAL NAME :
- (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
- CAS REGISTRY NUMBER :
- 52709-87-2
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C17-H17-N-O
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness
- 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: 34(4),23,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1500 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: 34(4),23,1990
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Safety Information
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
| 4-cyano-4'-n-butyloxybiphenyl |
| 4OCB |
| 4'-Butoxybiphenyl-4-carbonitrile |
| 4-butoxy-4'-cyano-biphenyl |
| 4-Butoxycyanodiphenyl |
| [1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy- |
| 4'-Butoxy-4-biphenylcarbonitrile |
| MFCD00183755 |
| EINECS 258-123-2 |
| 4'-butoxy(1,1'-biphenyl)-4-carbonitrile |
| 4-cyano-4'-butyloxybiphenyl |
| NCR DR DO4 |
| 4-n-butyloxy-4'-cyanobiphenyl |
| 4-Cyano-4'-butoxybiphenyl |
