CAS No.1699-60-1,3,4-DIBENZYLOXYPHENYLACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1699-60-1
Name:	3,4-DIBENZYLOXYPHENYLACETONITRILE
Article Data:	4

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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Specification

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.

Benzeneacetonitrile,3,4-bis(phenylmethoxy)- can be used to produce (3,4-bis-benzyloxy-phenyl)-acetic acid.

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