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2-Methyl-6-isopropylaniline

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Name

2-Methyl-6-isopropylaniline

EINECS 226-083-5
CAS No. 5266-85-3 Density 0.944 g/cm3
PSA 26.02000 LogP 3.28180
Solubility N/A Melting Point N/A
Formula C10H15N Boiling Point 236.2 °C at 760 mmHg
Molecular Weight 149.236 Flash Point 97.8 °C
Transport Information N/A Appearance clear red to brown liquid
Safety 16-26-36/37/39-27 Risk Codes 10-20/21/22-36/37/38
Molecular Structure Molecular Structure of 5266-85-3 (6-Isopropyl-o-toluidine) Hazard Symbols HarmfulXn
Synonyms

m-Cymen-2-amine(6CI,8CI);2-Isopropyl-6-methylaniline;2-Isopropyl-6-methylphenylamine;6-Isopropyl-o-toluidine;

Article Data 3

2-Methyl-6-isopropylaniline Specification

The Benzenamine,2-methyl-6-(1-methylethyl)-, with CAS registry number 5266-85-3, has the systematic name of 2-methyl-6-(propan-2-yl)aniline. This chemical is a kind of clear red to brown liquid. And this chemical should be stored in a cool, dry place. What's more, its EINECS is 226-083-5.

Physical properties of Benzenamine,2-methyl-6-(1-methylethyl)-: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 66.61; (6)ACD/BCF (pH 7.4): 70.53; (7)ACD/KOC (pH 5.5): 691.46; (8)ACD/KOC (pH 7.4): 732.15; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 49.49 cm3; (15)Molar Volume: 158 cm3; (16)Polarizability: 19.62×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Enthalpy of Vaporization: 47.3 kJ/mol; (19)Vapour Pressure: 0.048 mmHg at 25°C.

Uses of Benzenamine,2-methyl-6-(1-methylethyl)-: it can be used to produce 6-imino-1-isopropyl-3-(2-isopropyl-6-methyl-phenylimino)-5-methyl-cyclohexa-1 and 3,3'-diisopropyl-5,5'-dimethyl-bicyclohexylidene-2,5,2',5'-tetraene-4,4'-diylidenediamine; compound with perchloric acid. This reaction will  need reagents aq. HClO4, Ce(ClO4)3, Ce(ClO4)4. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
Firstly, the Benzenamine,2-methyl-6-(1-methylethyl)- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing.
Secondly, this chemical is flammable, so keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cccc1C(C)C)C
(2)InChI: InChI=1/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3
(3)InChIKey: DDTKYVBFPULMGN-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3
(5)Std. InChIKey: DDTKYVBFPULMGN-UHFFFAOYSA-N

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