2702-58-1 | Methyl 3,5-dinitrobenzoate

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$18.00	$12.00
25g	98%	in stock	$40.00	$28.00
100g	98%	in stock	$136.00	$95.00
500g	98%	in stock	$595.00	$416.00

Description

• Catalog Number: AB75716
• Chemical Name: Methyl 3,5-dinitrobenzoate
• CAS Number: 2702-58-1
• Molecular Formula: C8H6N2O6
• Molecular Weight: 226.143
• MDL Number: MFCD00017016
• SMILES: COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O
• NSC Number: 7317

Computed Properties

• Complexity: 285
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• XLogP3: 1.8

Literature

• N-(2-Hydroxy-ethyl)-3,5-dinitro-benzamide.

  Acta crystallographica. Section E, Structure reports online 20080801

• Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate.

  Acta crystallographica. Section C, Crystal structure communications 20060801

• Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K.

  Acta crystallographica. Section C, Crystal structure communications 20060101