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| CAS No.: | 1989-53-3 |
|---|---|
| Name: | 2,6-Dimethoxybenzoyl chloride |
| Article Data: | 46 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9ClO3 |
| Molecular Weight: | 200.622 |
| Synonyms: | 2,6-Dimethoxybenzoylchloride; |
| EINECS: | 217-868-3 |
| Density: | 1.224 g/cm3 |
| Melting Point: | 64-66 °C(lit.) |
| Boiling Point: | 306.7 °C at 760 mmHg |
| Flash Point: | 134.1 °C |
| Appearance: | Solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-27-28-36/37/39-45 |
| PSA: | 35.53000 |
| LogP: | 2.08280 |
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Specification
The 2,6-Dimethoxybenzoyl chloride is an organic compound with the formula C9H9ClO3. The systematic name of this chemical is 2,6-dimethoxybenzoyl chloride. With the CAS registry number 1989-53-3, it is also named as benzoyl chloride, 2,6-dimethoxy-. The product's categories are Acid Halides; Carbonyl Compounds; Organic Building Blocks.
Physical properties about 2,6-Dimethoxybenzoyl chloride are: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): 1.55; (3)ACD/LogD (pH 7.4): 1.55; (4)ACD/BCF (pH 5.5): 8.88; (5)ACD/BCF (pH 7.4): 8.88; (6)ACD/KOC (pH 5.5): 166.14; (7)ACD/KOC (pH 7.4): 166.14; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.52; (12)Molar Refractivity: 49.85 cm3; (13)Molar Volume: 163.8 cm3; (14)Polarizability: 19.76×10-24cm3; (15)Surface Tension: 37.1 dyne/cm; (16)Density: 1.224 g/cm3; (17)Flash Point: 134.1 °C; (18)Enthalpy of Vaporization: 54.73 kJ/mol; (19)Boiling Point: 306.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000757 mmHg at 25°C.
Uses of 2,6-Dimethoxybenzoyl chloride: it can be used to produce N-(2,6-dimethoxybenzoyl)tyramine at ambient temperature. It will need reagent triethylamine and solvent CHCl3 acid with reaction time of 12 hours. The yield is about 54%.
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When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. After contact with skin, take off immediately all contaminated clothing, and wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1c(OC)cccc1OC
(2)InChI: InChI=1/C9H9ClO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3
(3)InChIKey: NDXRPDJVAUCBOH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H9ClO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3
(5)Std. InChIKey: NDXRPDJVAUCBOH-UHFFFAOYSA-N