The p-Toluoyl chloride?is a kind of acidhalide compounds?with cas registry number of 874-60-2. It has the EINECS?registry number of 212-864-8. It is clear colourless to slightly brownish liquid which is sensitive to moisture.?Both its systematic name and IUPAC name are the same which is called 4-methylbenzoyl chloride. This chemical is mainly used as the intermediates of liquid crystals.

The physical properties about this chemical are:?(1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.93; (6)ACD/BCF (pH 7.4): 62.93; (7)ACD/KOC (pH 5.5): 674.9; (8)ACD/KOC (pH 7.4): 674.9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 41.32 cm³; (14)Molar Volume: 132.1 cm³; (15)Surface Tension: 38.3 dyne/cm; (16)Density: 1.17 g/cm³; (17)Flash Point: 82.2 °C; (18)Enthalpy of Vaporization: 46.25 kJ/mol; (19)Boiling Point: 226 °C at 760 mmHg; (20)Vapour Pressure: 0.0838 mmHg at 25°C ; (21)Refractive index: 1.5525-1.5545.

Preparation of?p-Toluoyl chloride: it can be prepared by?4-methyl-benzoic acid?with reagent Thionyl chloride at?temperature of 60 ℃.

Uses of?p-Toluoyl chloride: it can react with?thiophene to produce?thiophen-2-yl-p-tolyl-methanone?in the presence of?reagent 2-chloromercuri-thiophene at?temperature of 70 - 120 ℃.

When you are using this chemical, please be cautious about it as the following:
This chemical causes burns. Wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes, when using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?Or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1ccc(cc1)C;
(2)InChI: InChI=1/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3;
(3)InChIKey: NQUVCRCCRXRJCK-UHFFFAOYAS

The toxicity data is as follows:

The p-Toluoyl chloride?is a kind of acidhalide compounds?with cas registry number of 874-60-2. It has the EINECS?registry number of 212-864-8. It is clear colourless to slightly brownish liquid which is sensitive to moisture.?Both its systematic name and IUPAC name are the same which is called 4-methylbenzoyl chloride. This chemical is mainly used as the intermediates of liquid crystals.

The physical properties about this chemical are:?(1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.93; (6)ACD/BCF (pH 7.4): 62.93; (7)ACD/KOC (pH 5.5): 674.9; (8)ACD/KOC (pH 7.4): 674.9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 41.32 cm³; (14)Molar Volume: 132.1 cm³; (15)Surface Tension: 38.3 dyne/cm; (16)Density: 1.17 g/cm³; (17)Flash Point: 82.2 °C; (18)Enthalpy of Vaporization: 46.25 kJ/mol; (19)Boiling Point: 226 °C at 760 mmHg; (20)Vapour Pressure: 0.0838 mmHg at 25°C ; (21)Refractive index: 1.5525-1.5545.

Preparation of?p-Toluoyl chloride: it can be prepared by?4-methyl-benzoic acid?with reagent Thionyl chloride at?temperature of 60 ℃.

Uses of?p-Toluoyl chloride: it can react with?thiophene to produce?thiophen-2-yl-p-tolyl-methanone?in the presence of?reagent 2-chloromercuri-thiophene at?temperature of 70 - 120 ℃.

When you are using this chemical, please be cautious about it as the following:
This chemical causes burns. Wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes, when using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?Or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1ccc(cc1)C;
(2)InChI: InChI=1/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3;
(3)InChIKey: NQUVCRCCRXRJCK-UHFFFAOYAS

The toxicity data is as follows:

Intermediates of Liquid Crystals