4-Amino-2-methylphenol

The CAS register number of 4-Amino-2-methylphenol is 2835-96-3. It also can be called as 4-Amino-o-cresol and the IUPAC name about this chemical is 4-amino-2-methylphenol. The molecular formula about this chemical is C₇H₉NO and the molecular weight is 123.15.

Physical properties about 4-Amino-2-methylphenol are: (1)ACD/LogP: 0.17; (2)ACD/LogD (pH 5.5): -0.08; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.41; (7)ACD/KOC (pH 7.4): 29.27; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47Ų; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 37.19 cm³; (14)Molar Volume: 106.4 cm³; (15)Polarizability: 14.74x10^-24cm³; (16)Surface Tension: 51.9 dyne/cm; (17)Enthalpy of Vaporization: 53.83 kJ/mol; (18)Boiling Point: 278.8 °C at 760 mmHg; (19)Vapour Pressure: 0.00246 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methyl-aniline. This reaction will need reagent 70percent H₂O₂, SbF₅ and solvent liquid HF. The reaction time is 15 min with reaction temperature of -20 ℃. The yield is about 35%.

Uses of p-Chloropropiophenone: it can be used to produce 2-methyl-[1,4]benzoquinone. This reaction will need reagent aqueous Fe₂ (SO₄)₃-solution and steam.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin, it may cause sensitization by skin contact and it has risk of serious damage to the eyes. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(N)cc1C
(2)InChI: InChI=1/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3
(3)InChIKey: HDGMAACKJSBLMW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3
(5)Std. InChIKey: HDGMAACKJSBLMW-UHFFFAOYSA-N