CAS No.103796-99-2,3-ETHOXY-4-METHOXYPHENYLACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103796-99-2
Name:	3-ETHOXY-4-METHOXYPHENYLACETONITRILE

Formula:	C₁₁H₁₃NO₂
Molecular Weight:	191.23
Synonyms:	Acetonitrile,(3-ethoxy-4-methoxyphenyl)- (6CI);3-Ethoxy-4-methoxyphenylacetonitrile;
Density:	1.061 g/cm³
Melting Point:	58-60 °C
Boiling Point:	310.8 °C at 760 mmHg
Flash Point:	117.9 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	3439
PSA:	42.25000
LogP:	2.15998

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Specification

The CAS register number of Benzeneacetonitrile,3-ethoxy-4-methoxy- is 103796-99-2. The systematic name about this chemical is (3-ethoxy-4-methoxyphenyl)acetonitrile. The molecular formula about this chemical is C₁₁H₁₃NO₂ and the molecular weight is 191.23.

Physical properties about Benzeneacetonitrile,3-ethoxy-4-methoxy- are: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.72; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 11.89; (5)ACD/BCF (pH 7.4): 11.89; (6)ACD/KOC (pH 5.5): 204.77; (7)ACD/KOC (pH 7.4): 204.77; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 42.25 Å²; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 53.7 cm³; (13)Molar Volume: 180.1 cm³; (14)Polarizability: 21.29x10^-24cm³; (15)Surface Tension: 37.3 dyne/cm; (16)Density: 1.061 g/cm³; (17)Flash Point: 117.9 °C; (18)Enthalpy of Vaporization: 55.16 kJ/mol; (19)Boiling Point: 310.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000587 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1cc(OCC)c(OC)cc1
(2)InChI: InChI=1/C11H13NO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6H2,1-2H3
(3)InChIKey: DULUKHADKMYILX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H13NO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6H2,1-2H3
(5)Std. InChIKey: DULUKHADKMYILX-UHFFFAOYSA-N