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CAS No.: | 6781-29-9 |
---|---|
Name: | (2-METHOXYPHENOXY)ACETONITRILE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H9NO2 |
Molecular Weight: | 163.176 |
Synonyms: | (2-Methoxyphenoxy)acetonitrile; |
Density: | 1.107 g/cm3 |
Boiling Point: | 269.3 °C at 760 mmHg |
Flash Point: | 109.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-42/43 |
Safety: | 26-36 |
PSA: | 42.25000 |
LogP: | 1.59758 |
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This chemical is called 2-(2-Methoxyphenoxy)acetonitrile, and it's also named as acetonitrile, 2-(2-methoxyphenoxy)-. With the molecular formula of C9H9NO2, its molecular weight is 163.17. The CAS registry number of this chemical is 6781-29-9. Additionally, its product categories are Aromatic Nitriles; Phenyls & Phenyl-Het.
Other characteristics of the 2-(2-Methoxyphenoxy)acetonitrile can be summarised as followings: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.46; (6)ACD/BCF (pH 7.4): 10.46; (7)ACD/KOC (pH 5.5): 186.86; (8)ACD/KOC (pH 7.4): 186.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.25 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 44.15 cm3; (15)Molar Volume: 147.3 cm3; (16)Polarizability: 17.5×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.107 g/cm3; (19)Flash Point: 109.1 °C; (20)Enthalpy of Vaporization: 50.74 kJ/mol; (21)Boiling Point: 269.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00733 mmHg at 25°C.
Uses of this chemical: The 2-(2-Methoxyphenoxy)acetonitrile could react with benzoic acid hydrazide to obtain the benzoic acid [1-amino-2-(2-methoxy-phenoxy)-ethylidene]-hydrazide. This reaction needs the reagent of NaOEt, and the solvent of ethanol. The yield is 55 %.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. Additionally, it may cause sensitization by inhalation and skin contact. In case of contacting 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#CCOc1ccccc1OC
2.InChI: InChI=1/C9H9NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,7H2,1H3
3.InChIKey: RUUDKUXGUIMMAB-UHFFFAOYAR