CAS No.52710-27-7,4-N-PROPYLBENZOYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52710-27-7
Name:	4-N-PROPYLBENZOYL CHLORIDE
Article Data:	15

Formula:	C₁₀H₁₁ClO
Molecular Weight:	182.65
Synonyms:	4-Propylbenzene-1-carbonyl chloride;
Density:	1.105g/cm³
Melting Point:	197-198 °C
Boiling Point:	253.5 °C at 760 mmHg
Flash Point:	110.1 °C
Solubility:	Reacts with water. Soluble in hot hexane, toluene, dichloromethane.
Appearance:	colourless opalescent liquid
Hazard Symbols:	C,Xi
Risk Codes:	34-36/37
Safety:	26-27-28-36/37/39-45
PSA:	17.07000
LogP:	3.01810

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Specification

The Benzoyl chloride,4-propyl-, with the CAS registry number 52710-27-7, is also known as 4-Propylbenzene-1-carbonyl chloride. It belongs to the product category of Acidhalide. This chemical's molecular formula is C₁₀H₁₁ClO and molecular weight is 182.6467. What's more, both its IUPAC name and systematic name are the same which is called 4-Propylbenzoyl chloride. Its appearance is colourless opalescent liquid.

Physical properties about this chemical are: (1)ACD/LogP: 3.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 404.12; (6)ACD/BCF (pH 7.4): 404.12; (7)ACD/KOC (pH 5.5): 2554.74; (8)ACD/KOC (pH 7.4): 2554.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 50.67 cm³; (15)Molar Volume: 165.1 cm³; (16)Surface Tension: 37 dyne/cm; (17)Density: 1.105 g/cm³; (18)Flash Point: 110.1 °C; (19)Enthalpy of Vaporization: 49.09 kJ/mol; (20)Boiling Point: 253.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0182 mmHg at 25 °C.

Uses of Benzoyl chloride,4-propyl-: it is used to produce other chemicals. For example, it is used to produce Methyl 4-n-propylbenzoate.

Methyl 4-n-propylbenzoate can be obtained from 4-propyl-benzoyl chloride and methanol; sodium salt.

The reaction occurs with reagent Methanol and other condition of heating for 48 hours. The yield is 95%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. And it may destroy living tissue on contact and cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. Then you should take off immediately all contaminated clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c1ccc(cc1)CCC
(2) InChI: InChI=1/C10H11ClO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3
(3) InChIKey: NZYPCJXREKMMCJ-UHFFFAOYAU