Acetonitrile,2-(4-methylphenoxy)- supplier

Name
4-METHYLPHENOXYACETONITRILE
EINECS -0
CAS No. 33901-44-9
Article Data7
CAS DataBase
Density 1.054 g/cm³
Solubility
Melting Point 42-44 °C
Formula C₉H₉NO
Boiling Point 262.5 °C at 760 mmHg
Molecular Weight 147.177
Flash Point 109.8 °C
Transport Information
Appearance
Safety 22-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Synonyms Acetonitrile,(4-methylphenoxy)- (9CI);Acetonitrile, (p-tolyloxy)- (8CI);(4-Methylphenoxy)acetonitrile;(p-Tolyloxy)acetonitrile;
PSA 33.02000
LogP 1.89738

Acetonitrile,2-(4-methylphenoxy)- Specification

The Acetonitrile, 2-(4-methylphenoxy)-, with the CAS registry number 33901-44-9, is also known as (4-Methylphenoxy)acetonitrile and 4-Methylphenoxyacetonitrile. This chemical's molecular formula is C₉H₉NO and molecular weight is 147.17. What's more, its IUPAC name is 2-(4-Methylphenoxy)acetonitrile. When you are dealing with this chemical, you should be very careful. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In addition, do not breathe dust.

Physical properties about Acetonitrile, 2-(4-methylphenoxy)- are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.98; (6)ACD/BCF (pH 7.4): 31.98; (7)ACD/KOC (pH 5.5): 415.72; (8)ACD/KOC (pH 7.4): 415.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 42.3 cm³; (15)Molar Volume: 139.6 cm³; (16)Polarizability: 16.77×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.054 g/cm³; (19)Flash Point: 109.8 °C; (20)Enthalpy of Vaporization: 50.03 kJ/mol; (21)Boiling Point: 262.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0108 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCOc1ccc(cc1)C
(2) InChI: InChI=1/C9H9NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H3
(3) InChIKey: GOCOKJDTFHEYKP-UHFFFAOYAB

Product Name

4-METHYLPHENOXYACETONITRILE

Acetonitrile,2-(4-methylphenoxy)- Specification

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