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CAS No.: | 42926-52-3 |
---|---|
Name: | 2-Ethoxybenzoyl chloride |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C9H9ClO2 |
Molecular Weight: | 184.622 |
Synonyms: | Benzoylchloride, o-ethoxy- (6CI,7CI);2-Ethoxybenzoyl chloride;o-Ethoxybenzoylchloride; |
EINECS: | 256-003-4 |
Density: | 1.18 g/cm3 |
Boiling Point: | 270.6 °C at 760 mmHg |
Flash Point: | 100.8 °C |
Appearance: | COLORLESS TO YELLOW TO BROWN LIQUID |
Hazard Symbols: | C |
Risk Codes: | 34-22 |
Safety: | 26-36/37/39-45 |
PSA: | 26.30000 |
LogP: | 2.46430 |
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The Benzoyl chloride,2-ethoxy- with the CAS number 42926-52-3 is also called 2-Ethoxybenzoyl chloride. Its molecular formula is C9H9ClO2. The EINECS registry number is 256-003-4. This chemical belongs to the following product categories: (1)Acidhalide; (2)Aromatic Halides (substituted); (3)Acid Halides; (4)Carbonyl Compounds; (5)Organic Building Blocks.
The properties of the Benzoyl chloride,2-ethoxy- are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.47; (6)ACD/BCF (pH 7.4): 44.47; (7)ACD/KOC (pH 5.5): 526.42; (8)ACD/KOC (pH 7.4): 526.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 47.8 cm3; (15)Molar Volume: 156.3 cm3; (16)Polarizability: 18.95×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Enthalpy of Vaporization: 50.88 kJ/mol; (19)Vapour Pressure: 0.00677 mmHg at 25°C.
Uses: This chemical can react with phosphorous acid trimethyl ester to prepare (2-ethoxy-benzoyl)-phosphonic acid dimethyl ester. This reaction needs solvent toluene. The yield is 85.5%.
While using this chemical, you should be very cautious. This chemical can cause burns. It is harmful if swallowed. 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: ClC(=O)c1ccccc1OCC
(2)InChI: InChI=1/C9H9ClO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
(3)InChIKey: MDKAAWDKKBFSTK-UHFFFAOYAQ