Introduction：Basic information about CAS 2116-65-6|4-Benzylpyridine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Benzylpyridine |
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| CAS Number | 2116-65-6 | Molecular Weight | 169.22200 |
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| Density | 1.061 g/mL at 25 °C(lit.) | Boiling Point | 287 °C(lit.) |
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| Molecular Formula | C12H11N | Melting Point | 9-11 °C |
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| MSDS | ChineseUSA | Flash Point | 239 °F |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 4-Benzylpyridine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.061 g/mL at 25 °C(lit.) |
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| Boiling Point | 287 °C(lit.) |
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| Melting Point | 9-11 °C |
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| Molecular Formula | C12H11N |
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| Molecular Weight | 169.22200 |
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| Flash Point | 239 °F |
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| Exact Mass | 169.08900 |
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| PSA | 12.89000 |
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| LogP | 2.67240 |
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| Vapour Pressure | 0.00492mmHg at 25°C |
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| Index of Refraction | n20/D 1.582(lit.) |
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| InChIKey | DBOLXXRVIFGDTI-UHFFFAOYSA-N |
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| SMILES | c1ccc(Cc2ccncc2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- US2625000
- CHEMICAL NAME :
- Pyridine, 4-benzyl-
- CAS REGISTRY NUMBER :
- 2116-65-6
- BEILSTEIN REFERENCE NO. :
- 0115831
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C12-H11-N
- MOLECULAR WEIGHT :
- 169.24
- WISWESSER LINE NOTATION :
- T6NJ D1R
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 560 uL/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - chromodacryorrhea Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 630 uL/kg
- TOXIC EFFECTS :
- Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - ulceration or bleeding from stomach
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12240
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - wild bird species
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302-H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | US2625000 |
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| Packaging Group | I; II; III |
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| Hazard Class | 6.1 |
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| HS Code | 29333999 |
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Customs
| HS Code | 2933399090 |
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| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Articles2
More Articles
| Structures of cytochrome P450 2B6 bound to 4-benzylpyridine and 4-(4-nitrobenzyl)pyridine: insight into inhibitor binding and rearrangement of active site side chains. Mol. Pharmacol. 80(6) , 1047-55, (2011) The biochemical, biophysical, and structural analysis of the cytochrome P450 2B subfamily of enzymes has provided a wealth of information regarding conformational plasticity and substrate recognition.... | |
| Antifungal activities of novel non-azole molecules against S. cerevisiae and C. albicans. Eur. J. Med. Chem. 47 , 270-7, (2012) Because of the increasing number of immunocompromised patients and due to problems with antifungal treatment, especially with the most widely used antifungals, azoles, there is an urgent need for new,... | |
Synonyms
| MFCD00006443 |
| (phenyl)(4-pyridyl)methane |
| 4-Benzyl-pyridine |
| EINECS 218-319-0 |
| para-benzylpyridine |
| phenyl-(4-pyridinyl)methane |
| p-benzylpyridine |
| Pyridine,4-benzyl |
| Pyridine,4-(phenylmethyl) |
