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| CAS No.: | 5724-56-1 |
|---|---|
| Name: | 2,3-Dimethylbenzonitrile |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C9H9N |
| Molecular Weight: | 131.177 |
| Synonyms: | 2,3-Dimethylbenzonitrile; |
| EINECS: | 227-229-0 |
| Density: | 0.99 g/cm3 |
| Melting Point: | 23-25 °C |
| Boiling Point: | 241.7 °C at 760 mmHg |
| Flash Point: | 100 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22 |
| Safety: | 23-36/37/39 |
| Transport Information: | 3276 |
| PSA: | 23.79000 |
| LogP: | 2.17508 |
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Specification
The CAS register number of 2,3-Dimethylbenzonitrile is 5724-56-1. It also can be called as Benzonitrile,2,3-dimethyl- and the IUPAC name about this chemical is 2,3-dimethylbenzonitrile. The molecular formula about this chemical is C9H9N and the molecular weight is 131.18. It belongs to the following product categories, such as Aromatic Nitriles; Nitrile; Nitriles and so on.
Physical properties about 2,3-Dimethylbenzonitrile are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 53.34; (5)ACD/BCF (pH 7.4): 53.34; (6)ACD/KOC (pH 5.5): 599.6; (7)ACD/KOC (pH 7.4): 599.6; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79Å2; (10)Index of Refraction: 1.525; (11)Molar Refractivity: 40.56 cm3; (12)Molar Volume: 132.2 cm3; (13)Polarizability: 16.08x10-24cm3; (14)Surface Tension: 38.6 dyne/cm; (15)Enthalpy of Vaporization: 47.87 kJ/mol; (16)Boiling Point: 241.7 °C at 760 mmHg; (17)Vapour Pressure: 0.0353 mmHg at 25°C.
Uses of 2,3-Dimethylbenzonitrile: it can be used to produce 2,3-dimethyl-benzoic acid at temperature of 200 ℃. This reaction will need reagent sodium hydroxide, potassium, hydroxide and water.
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. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need do not breathe vapour.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc(c1C)C
(2)InChI: InChI=1/C9H9N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,1-2H3
(3)InChIKey: ZEDPQIJYJCPIRM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H9N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,1-2H3
(5)Std. InChIKey: ZEDPQIJYJCPIRM-UHFFFAOYSA-N