4-Benzyloxy-3-methoxyphenylacetonitrile supplier

Name
4-BENZYLOXY-3-METHOXYPHENYLACETONITRILE
EINECS
CAS No. 1700-29-4
Article Data12
CAS DataBase
Density 1.129 g/cm³
Solubility
Melting Point 68-70 °C
Formula C₁₆H₁₅NO₂
Boiling Point 410.531 °C at 760 mmHg
Molecular Weight 253.301
Flash Point 148.16 °C
Transport Information UN 3439
Appearance
Safety 22-36/37
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Acetonitrile,[4-(benzyloxy)-3-methoxyphenyl]- (7CI,8CI);3-Methoxy-4-(phenylmethoxy)benzeneacetonitrile;4-Benzyloxy-3-methoxybenzyl cyanide;NSC 169520;4-Benzyl-Oxy-3-Methoxyphenylacetonitrile;
PSA 42.25000
LogP 3.34028

4-Benzyloxy-3-methoxyphenylacetonitrile Specification

The Benzeneacetonitrile,3-methoxy-4-(phenylmethoxy)-, with the CAS registry number 1700-29-4, is also known as 4-(1,1-dimethylethyl)-benzeneacetonitril. It belongs to Aromatic Nitriles. This chemical's molecular formula is C₁₆H₁₅NO₂ and molecular weight is 253.3. What's more, its IUPAC name is called 2-(3-methoxy-4-phenylmethoxyphenyl)acetonitrile.

Physical properties of Benzeneacetonitrile,3-methoxy-4-(phenylmethoxy)- are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 42.25 Å²; (7)Index of Refraction: 1.569; (8)Molar Refractivity: 73.56 cm³; (9)Molar Volume: 224.3 cm³; (10)Surface Tension: 43.9 dyne/cm; (11)Density: 1.129 g/cm³; (12)Flash Point: 148.2 °C; (13)Enthalpy of Vaporization: 66.29 kJ/mol; (14)Boiling Point: 410.5 °C at 760 mmHg; (15)Vapour Pressure: 5.98E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Do not breathe dust. You should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: COC1=C(C=CC(=C1)CC#N)OCC2=CC=CC=C2
(2)InChI: InChI=1S/C16H15NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9,12H2,1H3
(3)InChIKey: KSOYPRFHKIOHMY-UHFFFAOYSA-N

Product Name

4-BENZYLOXY-3-METHOXYPHENYLACETONITRILE

4-Benzyloxy-3-methoxyphenylacetonitrile Specification

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