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CAS No.: | 1699-60-1 |
---|---|
Name: | 3,4-DIBENZYLOXYPHENYLACETONITRILE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C22H19NO2 |
Molecular Weight: | 329.398 |
Synonyms: | Acetonitrile,[3,4-bis(benzyloxy)phenyl]- (7CI,8CI);3,4-Dibenzyloxyphenylacetonitrile; |
Density: | 1.155 g/cm3 |
Melting Point: | 80 °C |
Boiling Point: | 507.3 °C at 760 mmHg |
Flash Point: | 170.9 °C |
Hazard Symbols: | Xi |
PSA: | 42.25000 |
LogP: | 4.91068 |
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The CAS register number of Benzeneacetonitrile,3,4-bis(phenylmethoxy)- is 1699-60-1. It also can be called as 3,4-Dibenzyloxyphenylacetonitrile and the IUPAC name about this chemical is 2-[3,4-bis(phenylmethoxy)phenyl]acetonitrile. The molecular formula about this chemical is C22H19NO2 and the molecular weight is 329.39. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzeneacetonitrile,3,4-bis(phenylmethoxy)- are: (1)ACD/LogP: 4.50; (2)ACD/LogD (pH 5.5): 4.5; (3)ACD/LogD (pH 7.4): 4.5; (4)ACD/BCF (pH 5.5): 1540.15; (5)ACD/BCF (pH 7.4): 1540.15; (6)ACD/KOC (pH 5.5): 6656.65; (7)ACD/KOC (pH 7.4): 6656.65; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 42.25 Å2; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 98.04 cm3; (13)Molar Volume: 285 cm3; (14)Polarizability: 38.86x10-24cm3; (15)Surface Tension: 47.8 dyne/cm; (16)Density: 1.155 g/cm3; (17)Flash Point: 170.9 °C; (18)Enthalpy of Vaporization: 77.74 kJ/mol; (19)Boiling Point: 507.3 °C at 760 mmHg; (20)Vapour Pressure: 2.05E-10 mmHg at 25 °C.
Uses of Benzeneacetonitrile,3,4-bis(phenylmethoxy)-: it can be used to produce (3,4-bis-benzyloxy-phenyl)-acetic acid. This reaction will need reagent of aq. KOH and solvent of ethanol.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc3cc(OCc1ccccc1)c(OCc2ccccc2)cc3
(2)InChI: InChI=1/C22H19NO2/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20/h1-12,15H,13,16-17H2
(3)InChIKey: JVNGVPICFBYTGS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C22H19NO2/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20/h1-12,15H,13,16-17H2
(5)Std. InChIKey: JVNGVPICFBYTGS-UHFFFAOYSA-N