5-Amino-2-methylbenzonitrile supplier

Name
5-AMINO-2-METHYLBENZONITRILE
EINECS
CAS No. 50670-64-9
Article Data11
CAS DataBase
Density 1.1 g/cm³
Solubility
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
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi,T
Synonyms 3-Amino-6-methylbenzonitrile;3-Cyano-4-methylaniline;
PSA 49.81000
LogP 2.03008

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

Product Name

5-AMINO-2-METHYLBENZONITRILE

5-Amino-2-methylbenzonitrile Specification

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