BUTYRIC ACID, 4,4,4-TRINITRO-, 2,2,2-TRINITROETHYL ESTER

2,2,2-trinitroethyl 4,4,4-trinitrobutanoate

CAS: 13013-01-9

Molecular Formula	`C6H6N6O14`
Molecular Weight	386.14 g/mol
Topological Polar Surface Area	301.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	14
Rotatable Bonds	6
Exact Mass	385.9942
Heavy Atoms	26
Complexity	580.0

Chemical Identifiers

CAS Number	13013-01-9
SMILES	`C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`IAVWMTSJZOZYCU-UHFFFAOYSA-N`

📖 Product Overview

BUTYRIC ACID, 4,4,4-TRINITRO-, 2,2,2-TRINITROETHYL ESTER (CAS: 13013-01-9) is a chemical compound with molecular formula C6H6N6O14 and molecular weight 386.14 g/mol. Its IUPAC systematic name is 2,2,2-trinitroethyl 4,4,4-trinitrobutanoate. Topological Polar Surface Area 301.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 14 Rotatable Bonds 6 Exact Mass 385.9942 Heavy Atoms 26 Complexity 580.0 InChI Key: IAVWMTSJZOZYCU-UHFFFAOYSA-N. SMILES: C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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