4-Benzylpyridine

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Names

[ CAS No. ]:
2116-65-6

[ Name ]:
4-Benzylpyridine

[Synonym ]:
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)

Chemical & Physical Properties

[ Density]:
1.061 g/mL at 25 °C(lit.)

[ Boiling Point ]:
287 °C(lit.)

[ Melting Point ]:
9-11 °C

[ Molecular Formula ]:
C12H11N

[ Molecular Weight ]:
169.22200

[ Flash Point ]:
239 °F

[ Exact Mass ]:
169.08900

[ PSA ]:
12.89000

[ LogP ]:
2.67240

[ Vapour Pressure ]:
0.00492mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.582(lit.)

MSDS

Click to get detail MSDS

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 DATA

ACUTE 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

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
US2625000

[ Packaging Group ]:
I; II; III

[ Hazard Class ]:
6.1

[ HS Code ]:
29333999

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Benzoylpyridine
  • Benzyl Methyl Carbonate
  • Pyridine-4-boronic acid
  • Phenyl(4-pyridyl)methanol
  • Benzyl chloride
  • 4-Pyridinemethanol, a-phenyl-, 4-acetate
  • 4-benzylsulfinylpyridine
  • Pyridine,4-(methylthio)-

DownStream

  • 4-benzyl-2-fluoropyridine
  • 4-Benzylpiperidine
  • 4-(cyclohexylmethyl)piperidine
  • Pyridine,4-(diphenylmethyl)-
  • 3-(4-benzyl-1-methylpiperidin-1-ium-1-yl)propyl-trimethylazanium,dibromide
  • [(pyridin-4-yl)phenylmethyl]lithium
  • Hexamethyldisilazane
  • 9H FLUORENE
  • Pyridine

Customs

[ HS Code ]: 2933399090

[ 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%

Articles

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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....

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Related Compounds

  • 4-benzylpyridine-N-oxide
  • lithium 4-benzylpyridine
  • 2-fluoro-4-benzylpyridine
  • 3-methyl-4-benzylpyridine
  • 2-fluoro-4-benzylpyridine
  • 4-benzylpyridine-3-carbonitrile
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 4-Amino-3-[(4-fluorophenyl)methyl]-3-methylbutan-2-ol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide