1-Benzylimidazole Structure

1-Benzylimidazole

Chemical Properties

Melting point 68-70 °C(lit.)
Boiling point 310 °C(lit.)
Density  1.2419 (rough estimate)
refractive index  1.6392 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMF: >530 μg/ml; DMSO: >560 μg/ml; Ethanol: >500 μg/ml; PBS pH 7.2: >6.5 mg/ml
pka 6.79±0.10(Predicted)
form  Crystals
color  Brownish
Water Solubility  insoluble
λmax 215nm(EtOH)(lit.)
BRN  114571
InChI 1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
InChIKey KKKDZZRICRFGSD-UHFFFAOYSA-N
SMILES C(c1ccccc1)n2ccnc2
CAS DataBase Reference 4238-71-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII W4C9Z5BCV7
NIST Chemistry Reference 1H-Imidazole, 1-(phenylmethyl)-(4238-71-5)
UNSPSC Code 12352005
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements  36/37/38
Safety Statements  22-24/25
WGK Germany  3
F  10
HS Code  29332900
Storage Class 11 - Combustible Solids
NFPA 704:
0
1 0

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