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Name |
Benzonitrile, 2,4-dichloro-6-methyl- |
EINECS | N/A |
CAS No. | 175277-98-2 | Density | 1.34 g/cm3 |
PSA | 23.79000 | LogP | 3.17348 |
Solubility | N/A | Melting Point |
79-81°C |
Formula | C8H5Cl2N | Boiling Point | 287 °C at 760 mmHg |
Molecular Weight | 186.04 | Flash Point | 124.1 °C |
Transport Information | UN 3439 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system | |
Synonyms |
2,4-Dichloro-6-methylbenzonitrile; |
This chemical is called Benzonitrile, 2,4-dichloro-6-methyl-, and its systematic name is 2,4-dichloro-6-methylbenzonitrile. With the molecular formula of C8H5Cl2N, its molecular weight is 186.04. The CAS registry number of this chemical is 175277-98-2. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Benzonitrile, 2,4-dichloro-6-methyl- can be summarised as followings: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 167.66; (6)ACD/BCF (pH 7.4): 167.66; (7)ACD/KOC (pH 5.5): 1361; (8)ACD/KOC (pH 7.4): 1361; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 45.59 cm3; (15)Molar Volume: 138.5 cm3; (16)Polarizability: 18.07×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 124.1 °C; (20)Enthalpy of Vaporization: 52.62 kJ/mol; (21)Boiling Point: 287 °C at 760 mmHg; (22)Vapour Pressure: 0.00255 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1c(cc(Cl)cc1Cl)C
2.InChI: InChI=1/C8H5Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,1H3
3.InChIKey: NFPYAMXNKNDVDS-UHFFFAOYAS