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4-Chloro-2-methoxybenzoic acid

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Name

4-Chloro-2-methoxybenzoic acid

EINECS 260-761-1
CAS No. 57479-70-6 Density 1.352 g/cm3
PSA 46.53000 LogP 2.04680
Solubility N/A Melting Point 146-148 ºC
Formula C8H7ClO3 Boiling Point 314.7 °C at 760 mmHg
Molecular Weight 186.595 Flash Point 144.1 °C
Transport Information N/A Appearance White crystalline powder.
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 57479-70-6 (4-Chloro-2-methoxybenzoic acid) Hazard Symbols IrritantXi
Synonyms

o-Anisicacid, 4-chloro- (6CI,7CI);4-Chloro-2-methoxybenzoic acid;4-Chloro-o-anisicacid;2-Methoxy-4-chloro benzoic acid;

Article Data 13

4-Chloro-2-methoxybenzoic acid Specification

The CAS registry number of Benzoic acid,4-chloro-2-methoxy- is 57479-70-6. Its EINECS registry number is 260-761-1. The IUPAC name is 4-chloro-2-methoxybenzoic acid. In addition, the molecular formula is C8H7ClO3 and the molecular weight is 186.59. It is also called 2-methoxy-4-chloro benzoic acid. What's more, it is a kind of white to light brown fine crystalline powder and belongs to the classes of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids. And it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): -0.52; (4)ACD/BCF (pH 5.5): 1.05; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.37; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 44.75 cm3; (14)Molar Volume: 137.9 cm3; (15)Polarizability: 17.74 ×10-24cm3; (16)Surface Tension: 47.4 dyne/cm; (17)Density: 1.352 g/cm3; (18)Flash Point: 144.1 °C; (19)Enthalpy of Vaporization: 58.69 kJ/mol; (20)Boiling Point: 314.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000194 mmHg at 25°C.

Uses of Benzoic acid,4-chloro-2-methoxy-: it can be used to get 4-chloro-2-methoxybenzyl alcohol. This reaction will need reagent diborane and solvent tetrahydrofuran. The reaction time is 1.5 hours at reaction temperature of 0 °C. The yield is about 58%.

Benzoic acid,4-chloro-2-methoxy- can be used to get 4-chloro-2-methoxybenzyl alcohol

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(OC)cc(Cl)cc1
(2)InChI: InChI=1/C8H7ClO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: UFEYMXHWIHFRBX-UHFFFAOYAL

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