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5-Amino-2-methylbenzonitrile

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Name

5-Amino-2-methylbenzonitrile

EINECS N/A
CAS No. 50670-64-9 Density 1.1 g/cm3
PSA 49.81000 LogP 2.03008
Solubility N/A Melting Point 88-91 °C(lit.)
Formula C8H8N2 Boiling Point 300.3 °C at 760 mmHg
Molecular Weight 132.165 Flash Point 135.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 50670-64-9 (5-AMINO-2-METHYLBENZONITRILE) Hazard Symbols IrritantXi,ToxicT
Synonyms

3-Amino-6-methylbenzonitrile;3-Cyano-4-methylaniline;

Article Data 11

5-Amino-2-methylbenzonitrile Specification

The Benzonitrile,5-amino-2-methyl- with the CAS number 50670-64-9 is also called 3-Amino-6-methylbenzonitrile. The systematic name is 5-amino-2-methylbenzonitrile. Its molecular formula is C8H8N2. This chemical belongs to the following product categories: (1)Aromatic Nitriles; (2)C8 to C9; (3)Cyanides/Nitriles; (4)Nitrogen Compounds.

The properties of the Benzonitrile,5-amino-2-methyl- are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.52; (6)ACD/BCF (pH 7.4): 8.57; (7)ACD/KOC (pH 5.5): 161.09; (8)ACD/KOC (pH 7.4): 161.93; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 39.56 cm3; (15)Molar Volume: 119.5 cm3; (16)Polarizability: 15.68×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Enthalpy of Vaporization: 54.04 kJ/mol; (19)Vapour Pressure: 0.00113 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then 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#Cc1cc(N)ccc1C
(2)InChI: InChI=1/C8H8N2/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,10H2,1H3
(3)InChIKey: YDZVQWCVKXYGIU-UHFFFAOYAO

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