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CAS No.: | 17918-14-8 |
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Name: | 2,5-DIMETHOXYBENZOYL CHLORIDE |
Article Data: | 44 |
Molecular Structure: | |
Formula: | C9H9ClO3 |
Molecular Weight: | 200.622 |
Synonyms: | 2,5-Dimethoxybenzoylchloride;2,5-Dimethoxyphenylcarbonyl chloride;Benzoyl chloride, 2,5-dimethoxy-; |
EINECS: | 241-863-5 |
Density: | 1.224 g/cm3 |
Boiling Point: | 306.7 °C at 760 mmHg |
Flash Point: | 134.1 °C |
PSA: | 35.53000 |
LogP: | 2.08280 |
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The Benzoyl chloride,2,5-dimethoxy-, with the CAS registry number 17918-14-8 and EINECS registry number 241-863-5, has the systematic name 2,5-dimethoxybenzoyl chloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H9ClO3.
The characteristics of Benzoyl chloride,2,5-dimethoxy- are as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.58; (6)ACD/BCF (pH 7.4): 25.58; (7)ACD/KOC (pH 5.5): 354.35; (8)ACD/KOC (pH 7.4): 354.35; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 49.85 cm3; (15)Molar Volume: 163.8 cm3; (16)Polarizability: 19.76×10-24cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 134.1 °C; (20)Enthalpy of Vaporization: 54.73 kJ/mol; (21)Boiling Point: 306.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000757 mmHg at 25°C.
Uses of Benzoyl chloride,2,5-dimethoxy-: It can react with piperazine to produce 1,4-bis(2,5-dimethoxybenzoyl)piperazine. This reaction will need the menstruum CHCl3. The reaction time is 1 hour, and the yield is about 60%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)c1cc(OC)ccc1OC
(2)InChI: InChI=1/C9H9ClO3/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3
(3)InChIKey: YARKPRSRXZGKNI-UHFFFAOYAS