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2,4-Dimethoxybenzoic acid

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Name

2,4-Dimethoxybenzoic acid

EINECS 202-074-1
CAS No. 91-52-1 Density 1.214 g/cm3
PSA 55.76000 LogP 1.40200
Solubility slightly soluble in water Melting Point 107-111 °C
Formula C9H10O4 Boiling Point 313 °C at 760 mmHg
Molecular Weight 182.176 Flash Point 125.8 °C
Transport Information N/A Appearance white to off-white powder
Safety 26-37/39-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 91-52-1 (2,4-Dimethoxybenzoic acid) Hazard Symbols IrritantXi
Synonyms

2,4-Dimethoxybenzoicacid;NSC 6316;

Article Data 83

2,4-Dimethoxybenzoic acid Specification

The Benzoicacid, 2,4-dimethoxy-, with the CAS registry number 91-52-1, is also known as 2,4-Dimethoxy benzoic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; C9; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 202-074-1. This chemical's molecular formula is C9H10O4 and molecular weight is 182.17. Its IUPAC name is called 2,4-dimethoxybenzoic acid. What's more, the product should be sealed and stored in cool place. This chemical is white to off-white powder.

Physical properties of Benzoicacid, 2,4-dimethoxy-: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): 0.28; (3)ACD/LogD (pH 7.4): -1.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.91; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 46.53 cm3; (13)Molar Volume: 149.9 cm3; (14)Surface Tension: 42.4 dyne/cm; (15)Density: 1.214 g/cm3; (16)Flash Point: 125.8 °C; (17)Enthalpy of Vaporization: 58.49 kJ/mol; (18)Boiling Point: 313 °C at 760 mmHg; (19)Vapour Pressure: 0.000218 mmHg at 25°C.

Uses of Benzoicacid, 2,4-dimethoxy-: it can be used to produce 2,4-dimethoxy-benzoyl chloride at temperature of 80 °C. This reaction is a kind of Substitution. It will need reagent SOCl2 and solvent benzene with reaction time of 3 hours.

Benzoicacid, 2,4-dimethoxy- can be used to produce 2,4-dimethoxy-benzoyl chloride

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)C(=O)O)OC
(2)InChI: InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)
(3)InChIKey: GPVDHNVGGIAOQT-UHFFFAOYSA-N

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