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3-Methoxybenzoyl chloride

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Name

3-Methoxybenzoyl chloride

EINECS 216-975-2
CAS No. 1711-05-3 Density 1.219 g/cm3
PSA 26.30000 LogP 2.07420
Solubility Soluble in chloroform. Reacts with water. Melting Point N/A
Formula C8H7ClO2 Boiling Point 244.2 °C at 760 mmHg
Molecular Weight 170.595 Flash Point 92.2 °C
Transport Information UN 1729 8/PG 2 Appearance clear colourless to light yellow liquid
Safety 26-36/37/39-45 Risk Codes 34-36/37
Molecular Structure Molecular Structure of 1711-05-3 (3-METHOXYBENZOYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

3-Methoxybenzoic acid chloride;m-Anisoyl chloride;m-Methoxybenzoyl chloride;m-Anisoylchloride (7CI,8CI);3-(Methyloxy)benzoyl chloride;3-Anisoyl chloride;

Article Data 130

3-Methoxybenzoyl chloride 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%.

Benzoyl chloride,3-methoxy- can be prepared by 3-methoxy-benzoic acid by heating

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%.

Benzoyl chloride,3-methoxy- can be used to produce 4-(3-Methoxybenzoyloxy)pyridin at the ambient temperature

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

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