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B30405

Sigma-Aldrich

4-Benzylpyridine

98%

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Empirical Formula (Hill Notation):
C12H11N
CAS Number:
2116-65-6
Molecular Weight:
169.22
Beilstein:
115831
EC Number:
218-319-0
MDL number:
MFCD00006443
UNSPSC Code:
12352100
PubChem Substance ID:
24891681
NACRES:
NA.22

Quality Level

100

Assay

98%

form

liquid

refractive index

n20/D 1.582 (lit.)

bp

287 °C (lit.)

density

1.061 g/mL at 25 °C (lit.)

SMILES string

C(c1ccccc1)c2ccncc2

InChI

1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2

InChI key

DBOLXXRVIFGDTI-UHFFFAOYSA-N

Gene Information

rat ... Slc6a3(24898) , Slc6a4(25553)

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Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

239.0 °F

Flash Point(C)

115 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Niina Tani et al.
European journal of medicinal chemistry, 47(1), 270-277 (2011-11-22)
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, potent and safe antifungals with fewer cytochrome P450 (CYP)-mediated interactions
Manish B Shah et al.
Molecular pharmacology, 80(6), 1047-1055 (2011-08-31)
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. The recent X-ray crystal structure of the drug-metabolizing P450 2B6 in complex with 4-(4-chlorophenyl)imidazole

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