Benzonitrile,4-methoxy-2-methyl- supplier

Name
4-METHOXY-2-METHYLBENZONITRILE
EINECS
CAS No. 21883-13-6
Article Data14
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point 104 °C 5mm
Formula C₉H₉NO
Boiling Point 274.7 °C at 760mmHg
Molecular Weight 147.177
Flash Point 115.3 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms p-Anisonitrile,2-methyl- (8CI);2-Methyl-4-methoxybenzonitrile;4-Methoxy-2-methylbenzonitrile;
PSA 33.02000
LogP 1.87528

Benzonitrile,4-methoxy-2-methyl- Specification

The CAS registry number of Benzonitrile,4-methoxy-2-methyl- is 21883-13-6. It belongs to the product category of Aromatic Nitriles. This chemical's molecular formula is C₉H₉NO and molecular weight is 147.17. What's more, its systematic name is called 4-Methoxy-2-methylbenzonitrile.

Physical properties about Benzonitrile,4-methoxy-2-methyl- are: (1)ACD/LogP: 2.33; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 33.02 Å²; (7)Index of Refraction: 1.522; (8)Molar Refractivity: 42.3 cm³; (9)Molar Volume: 138.6 cm³; (10)Polarizability: 16.77×10^-24 cm³; (11)Surface Tension: 40.6 dyne/cm; (12)Density: 1.06 g/cm³; (13)Flash Point: 115.3 °C; (14)Enthalpy of Vaporization: 51.31 kJ/mol; (15)Boiling Point: 274.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00532 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. It is also 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 case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(cc(OC)cc1)C
(2) InChI: InChI=1/C9H9NO/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5H,1-2H3
(3) InChIKey: PXAQQUKODRZAOZ-UHFFFAOYAN

Product Name

4-METHOXY-2-METHYLBENZONITRILE

Benzonitrile,4-methoxy-2-methyl- Specification

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