CAS No.2672-58-4,TRIMETHYL 1,3,5-BENZENETRICARBOXYLATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2672-58-4
Name:	TRIMETHYL 1,3,5-BENZENETRICARBOXYLATE
Article Data:	121

Formula:	C₁₂H₁₂O₆
Molecular Weight:	252.224
Synonyms:	1,3,5-Benzenetricarboxylicacid, trimethyl ester (7CI,8CI,9CI);Trimesic acid trimethyl ester (6CI);1,3,5-Tri(methoxycarbonyl)benzene;1,3,5-Tricarbomethoxybenzene;1,3,5-Tris(methoxycarbonyl)benzene;NSC 61883;Trimethyl1,3,5-benzenetricarboxylate;Trimethyl trimesate;
EINECS:	220-215-5
Density:	1.241 g/cm³
Melting Point:	145-147 °C(lit.)
Boiling Point:	343.7 °C at 760 mmHg
Flash Point:	150.8 °C
Appearance:	white to almost white crystalline powder
Safety:	24/25
PSA:	78.90000
LogP:	1.04640

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Specification

This chemical is called Trimethyl benzene-1,3,5-tricarboxylate, and its CAS registry number is 2672-58-4. With the molecular formula of C₁₂H₁₂O₆, its molecular weight is 252.22. Additionally, its product categories are Aromatic Esters; C12 to C63; Carbonyl Compounds; Esters. It should be sealed in the cool and dry plcace. If you use this chemical, please avoid contacting with skin and eyes.

Other characteristics of the Trimethyl benzene-1,3,5-tricarboxylate can be summarised as followings: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 107.64; (6)ACD/BCF (pH 7.4): 107.64; (7)ACD/KOC (pH 5.5): 991.05; (8)ACD/KOC (pH 7.4): 991.05; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 61.57 cm³; (15)Molar Volume: 203.1 cm³; (16)Polarizability: 24.4×10^-24cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.241 g/cm³; (19)Flash Point: 150.8 °C; (20)Enthalpy of Vaporization: 58.76 kJ/mol; (21)Boiling Point: 343.7 °C at 760 mmHg; (22)Vapour Pressure: 6.93E-05 mmHg at 25°C.

Production method of this chemical: The Trimethyl benzene-1,3,5-tricarboxylate could be obtained by the reactant of methanol and benzene-1,3,5-tricarboxylic acid. This reaction needs the reagent of H₂SO₄. The yield is 97 %. In addition, this reaction should be taken for 18 hours. The other condition is heating.

Uses of this chemical: The 1,3,5-tris-hydroxymethyl-benzene could be obtained by the reactant of Trimethyl benzene-1,3,5-tricarboxylate. This reaction needs the reagent of LiAlH_4.The yield is 79 %.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cc(cc(C(=O)OC)c1)C(=O)OC
2.InChI: InChI=1/C12H12O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h4-6H,1-3H3
3.InChIKey: RGCHNYAILFZUPL-UHFFFAOYAJ