1-benzylimidazole
Names
[ CAS No. ]:
4238-71-5
[ 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
Biological Activity
[Description]:
[Related Catalog]:
[In Vitro]
[References]
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
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
Precursor & DownStream
Precursor
DownStream
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
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...