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| CAS No.: | 1711-05-3 |
|---|---|
| Name: | 3-METHOXYBENZOYL CHLORIDE |
| Article Data: | 130 |
| Molecular Structure: | |
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|
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| Formula: | C8H7ClO2 |
| Molecular Weight: | 170.595 |
| Synonyms: | 3-Methoxybenzoic acid chloride;m-Anisoyl chloride;m-Methoxybenzoyl chloride;m-Anisoylchloride (7CI,8CI);3-(Methyloxy)benzoyl chloride;3-Anisoyl chloride; |
| EINECS: | 216-975-2 |
| Density: | 1.219 g/cm3 |
| Boiling Point: | 244.2 °C at 760 mmHg |
| Flash Point: | 92.2 °C |
| Solubility: | Soluble in chloroform. Reacts with water. |
| Appearance: | clear colourless to light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-36/37 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 1729 8/PG 2 |
| PSA: | 26.30000 |
| LogP: | 2.07420 |
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Specification
The Benzoyl chloride,3-methoxy-, with the CAS registry number 1711-05-3, is also known as m-Anisoyl chloride. It belongs to the product category of Aromatic Halides (substituted). Its EINECS number is 216-975-2. This chemical's molecular formula is C8H7ClO2 and molecular weight is 170.59. What's more, its systematic name is 3-methoxybenzoyl chloride. It is stable at common pressure and temperature, and it should be sealed and stored in containers with dry inert gas which are placed in a cool, ventilated and dry place. Moreover, it should be protected from oxides, water and bases.
Physical properties of Benzoyl chloride,3-methoxy- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.529; (10)Molar Refractivity: 43.17 cm3; (11)Molar Volume: 139.8 cm3; (12)Polarizability: 17.11×10-24cm3; (13)Surface Tension: 38.2 dyne/cm; (14)Density: 1.219 g/cm3; (15)Flash Point: 92.2 °C; (16)Enthalpy of Vaporization: 48.12 kJ/mol; (17)Boiling Point: 244.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0308 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-methoxy-benzoic acid by heating. This reaction will need reagent SOCl2 with the reaction time of 40 min. The yield is about 75%.
Uses of Benzoyl chloride,3-methoxy-: it can be used to produce 4-(3-Methoxybenzoyloxy)pyridin at the ambient temperature. It will need solvent pyridine with the reaction time of 1 hour. The yield is about 69%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to eyes and respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
(2)InChIKey: RUQIUASLAXJZIE-UHFFFAOYSA-N
(3)Canonical SMILES: COC1=CC=CC(=C1)C(=O)Cl