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| CAS No.: | 5955-73-7 |
|---|---|
| Name: | 2-METHYLBENZOYL CYANIDE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C9H7NO |
| Molecular Weight: | 145.161 |
| Synonyms: | Glyoxylonitrile,o-tolyl- (7CI,8CI);2-Methylbenzoyl cyanide;2-Toluylcyanide;o-Toluoylcyanide;o-Tolylglyoxylonitrile; |
| EINECS: | 200-258-5 |
| Density: | 1.111 g/cm3 |
| Boiling Point: | 239.226 °C at 760 mmHg |
| Flash Point: | 98.481 °C |
| PSA: | 40.86000 |
| LogP: | 1.70128 |
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Specification
This chemical is called (2-methylphenyl)(oxo)acetonitrile, and it can also be named as 2-Methylbenzoyl cyanide. With the molecular formula of C9H7NO, its molecular weight is 145.16. The CAS registry number of this chemical is 5955-73-7.
Other characteristics of the (2-methylphenyl)(oxo)acetonitrile can be summarised as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 156; (8)ACD/KOC (pH 7.4): 156; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.86 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 41.019 cm3; (15)Molar Volume: 130.622 cm3; (16)Polarizability: 16.261×10-24cm3; (17)Surface Tension: 45.044 dyne/cm; (18)Density: 1.111 g/cm3; (19)Flash Point: 98.481 °C; (20)Enthalpy of Vaporization: 47.611 kJ/mol; (21)Boiling Point: 239.226 °C at 760 mmHg; (22)Vapour Pressure: 0.041 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C#N)c1ccccc1C
2.InChI: InChI=1/C9H7NO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5H,1H3
3.InChIKey: WYXWANVHOUGOBI-UHFFFAOYAW