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| CAS No.: | 21615-34-9 |
|---|---|
| Name: | o-Anisoyl chloride |
| Article Data: | 35 |
| Molecular Structure: | |
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|
|
| Formula: | C8H7ClO2 |
| Molecular Weight: | 170.595 |
| Synonyms: | 2-(Methyloxy)benzoyl chloride;2-Anisoyl chloride;o-Anisoylchloride (7CI,8CI);2-Methoxybenzoic acid chloride;2-Methoxybenzoyl chloride;o-Methoxybenzoylchloride;ortho-Anisoyl chloride;2-Ethoxybenzoyl chloride;2-Methoxybenzolcarbonylchlorid;2-methoxybenzoyl chloride;benzoyl chloride, 2-methoxy-; |
| EINECS: | 244-477-5 |
| Density: | 1.219 g/cm3 |
| Boiling Point: | 254.7 °C at 760 mmHg |
| Flash Point: | 94.9 °C |
| Appearance: | clear yellow to brown liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-36/37 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | 300kgs |
| PSA: | 26.30000 |
| LogP: | 2.07420 |
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Specification
The 2-Methoxybenzoyl chloride, with the CAS registry number 21615-34-9 and EINECS registry number 244-477-5, is also called 2-Ethoxybenzoyl chloride. It belongs to the product category of Aromatic Halides (substituted). The molecular formula of this chemical is C8H7ClO2. What's more, it is a kind of clear yellow to brown liquid which is sensitive moisture to moisture, and it should be stored at 0-6°C. In addition, it is usually used as intermediate inorganic synthesis.
The physical properties of 2-Methoxybenzoyl chloride are as following: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.55; (6)ACD/BCF (pH 7.4): 17.55; (7)ACD/KOC (pH 5.5): 270.57; (8)ACD/KOC (pH 7.4): 270.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 43.17 cm3; (15)Molar Volume: 139.8 cm3; (16)Polarizability: 17.11×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 94.9 °C; (20)Enthalpy of Vaporization: 49.22 kJ/mol; (21)Boiling Point: 254.7 °C at 760 mmHg; (22)Vapour Pressure: 0.017 mmHg at 25°C.
Uses of 2-Methoxybenzoyl chloride: It can react with 1-methyl-piperazine to produce (2-methoxy-phenyl)-(4-methyl-piperazin-1-yl)-methanone. This reaction will need reagents CH2Cl2 and diethyl ether. The reaction time is 0.5 hourd, and the yield is about 83%.
You should be cautious while dealing with this chemical. It may cause burns, and irritates eyes and respiratory system. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccccc1C(Cl)=O
(2)InChI: InChI=1/C8H7ClO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
(3)InChIKey: RZNHSEZOLFEFGB-UHFFFAOYAU