1-benzylimidazole

Suppliers

Names

[ Name ]:
1-benzylimidazole

[Synonym ]:
1-BENZYL IMIDAZOLE
MFCD00005296
Imidazole,1-benzyl
1H-Imidazole, 1-(phenylmethyl)-
1-benzylimidazole
1H-Imidazole, 1- (phenylmethyl)-
BENZYLIMIDAZOLE
1-Benzyl-1H-imidazole
N-benzylimidazole
EINECS 224-200-4
3-Benzylimidazole

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
310.0±11.0 °C at 760 mmHg

[ Melting Point ]:
68-70 °C(lit.)

[ Molecular Formula ]:
C₁₀H₁₀N₂

[ Molecular Weight ]:
158.20

[ Flash Point ]:
141.3±19.3 °C

[ Exact Mass ]:
158.084396

[ PSA ]:
17.82000

[ LogP ]:
1.46

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.580

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2933290090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Imidazole
Benzyl chloride
Benzyl bromide
Benzyl alcohol
benzyl 1H-imidazole-1-carboxylate
Potassium carbonate
(2-Bromoethyl)benzene
1-BENZYL-1H-IMIDAZOLE-2-THIOL
Benzimidazole

DownStream

1H-Imidazole-2-carboxaldehyde,1-(phenylmethyl)-
1-benzyl-2-iodo-1H-imidazole
1-Benzyl-2-(2-nitrophenyl)imidazole
nitrobenzene
1,3-dibenzyl-1,2-dihydroimidazol-1-ium,chloride
1,3-dibenzyl-1,2-dihydroimidazol-1-ium,bromide
Imidazole
1-[(2-NITROPHENYL)METHYL]-1H-IMIDAZOLE
1-(4-Nitrobenzyl)-1H-imidazole

Customs

[ HS Code ]: 2933290090

[ Summary ]:
2933290090. other compounds containing an unfused imidazole 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

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Toward prediction of alkane/water partition coefficients.

J. Med. Chem. 51 , 3720-30, (2008)

Partition coefficients were measured for 47 compounds in the hexadecane/water ( P hxd) and 1-octanol/water ( P oct) systems. Some types of hydrogen bond acceptor presented by these compounds to the pa...

QSAR-based solubility model for drug-like compounds.

Bioorg. Med. Chem. 18 , 7078-84, (2010)

Solubility plays a very important role in the selection of compounds for drug screening. In this context, a QSAR model was developed for predicting water solubility of drug-like compounds. First, a se...