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5955-73-7

Basic Information
CAS No.: 5955-73-7
Name: 2-METHYLBENZOYL CYANIDE
Article Data: 16
Molecular Structure:
Molecular Structure of 5955-73-7 (2-METHYLBENZOYL CYANIDE)
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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  • 2-METHYLBENZOYL CYANIDE

  • Casno:

    5955-73-7

    2-METHYLBENZOYL CYANIDE

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  • High purity 2-Methylbenzoyl cyanide with good quality

  • Casno:

    5955-73-7

    High purity 2-Methylbenzoyl cyanide with good quality

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  • high purity 2-METHYLBENZOYL CYANIDE

  • Casno:

    5955-73-7

    high purity 2-METHYLBENZOYL CYANIDE

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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