4-Benzylpyridine

Modify Date: 2024-01-04 21:36:56

4-Benzylpyridine Structure
4-Benzylpyridine structure
Common Name 4-Benzylpyridine
CAS Number 2116-65-6 Molecular Weight 169.22200
Density 1.061 g/mL at 25 °C(lit.) Boiling Point 287 °C(lit.)
Molecular Formula C12H11N Melting Point 9-11 °C
MSDS Chinese USA Flash Point 239 °F
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 4-Benzylpyridine
Synonym More Synonyms

 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.)

 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
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

 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%

 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)