CAS No.2150-43-8,Methyl 3,4-dihydroxybenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2150-43-8
Name:	Methyl 3,4-dihydroxybenzoate
Article Data:	102

Formula:	C₈H₈O₄
Molecular Weight:	168.149
Synonyms:	Protocatechuicacid, methyl ester (6CI,7CI,8CI);3,4-Dihydroxybenzoic acid methyl ester;Methyl 3,4-dihydroxybenzoate;Methyl protocatechuate;NSC 146458;
Density:	1.354 g/cm³
Melting Point:	134-135°C
Boiling Point:	351.5 °C at 760 mmHg
Flash Point:	148.5 °C
Appearance:	white to off-white crystalline powder
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	66.76000
LogP:	0.88440

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Specification

This chemical is called Benzoic acid, 3,4-dihydroxy-, methyl ester, and its systematic name is Methyl 3,4-dihydroxybenzoate. With the molecular formula of C₈H₈O₄, its molecular weight is 168.15. The CAS registry number of this chemical is 2150-43-8. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Benzoic acid, 3,4-dihydroxy-, methyl ester can be summarised as followings: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 44.76 Å²; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 41.78 cm³; (9)Molar Volume: 124.1 cm³; (10)Polarizability: 16.56×10^-24cm³; (11)Surface Tension: 57.6 dyne/cm; (12)Density: 1.354 g/cm³; (13)Flash Point: 148.5 °C; (14)Enthalpy of Vaporization: 61.97 kJ/mol; (15)Boiling Point: 351.5 °C at 760 mmHg; (16)Vapour Pressure: 2.02E-05 mmHg at 25°C.

Production method of this chemical: The 3,4-dihydroxy-benzoic acid methyl ester could be obtained by the reactant of benzo[1,3]dioxole-5-carboxylic acid methyl ester. This reaction needs the reagent of AlBr₃, and the solvent of C₂H₅SH. The yield is 72.4 %. In addition, this reaction should be taken for 1 hour at the temperature of 0 °C.

Uses of this chemical: The Benzoic acid, 3,4-dihydroxy-, methyl ester could react with tert-butyl-chloro-dimethyl-silane, and obtain the methyl 3,4-bis[(tert-butyldimethylsilyl)oxy]benzoate. This reaction needs the reagent of N,N-diisopropylethylamine, and the solvent of dimethylformamide. The yield is 96 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cc(O)c(O)cc1
2.InChI: InChI=1/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3
3.InChIKey: CUFLZUDASVUNOE-UHFFFAOYAB