Basic information
- Name:
Benzoyl chloride,2,4,6-trimethyl-
- Superlist Name:
- 2,4,6-Trimethylbenzoyl chloride
- CAS No.:
938-18-1
- Molecular Structure:
- Formula:
- C10H11ClO
- Molecular Weight:
- 182.65
- Synonyms:
- 2,4,6-Trimethylbenzoicacid chloride;Mesitoyl chloride;Mesitylcarbonyl chloride;NSC 97606;
- EINECS:
- 213-339-6
- Density:
- 1.109 g/cm3
- Boiling Point:
- 259.7 °C at 760 mmHg
- Flash Point:
- 113.7 °C
- Appearance:
- clear light yellow liquid
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 45-36/37/39-26 Details
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Specification
The Benzoyl chloride,2,4,6-trimethyl- with the CAS number 938-18-1 is also called 2,4,6-Trimethylbenzoyl chloride. Its molecular formula is also called C10H11ClO. The EINECS registry number is 213-339-6. This chemcial belongs to the following product categories: (1)Acidhalide; (2)API intermediates; (3)Acid Halides; (4)Carbonyl Compounds; (5)Organic Building Blocks.
The properties of the Benzoyl chloride,2,4,6-trimethyl- are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 314.9; (6)ACD/BCF (pH 7.4): 314.9; (7)ACD/KOC (pH 5.5): 2136.99; (8)ACD/KOC (pH 7.4): 2136.99; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 50.97 cm3; (15)Molar Volume: 164.6 cm3; (16)Polarizability: 20.2×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Enthalpy of Vaporization: 49.73 kJ/mol; (19)Vapour Pressure: 0.0128 mmHg at 25°C.
Preparation: This chemical can be prepared by 2,4,6-trimethyl-benzoic acid. This reaction needs reagent SOCl2.
Uses: This chemical can react with phenylmethanol to prepare 2,4,6-trimethyl-benzoic acid benzyl ester. This reaction needs reagent silver cyanide and solvent benzene. The reaction time is 12 hours. The yield is 77%.
While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1c(cc(cc1C)C)C
(2)InChI: InChI=1/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
(3)InChIKey: UKRQMDIFLKHCRO-UHFFFAOYAX
