5-tert-Butyl-2,4,6-trinitro-m-xylene

About 5-tert-Butyl-2,4,6-trinitro-m-xylene

5-tert-Butyl-2,4,6-trinitro-m-xylene is a nitrogen-functional building block carrying the CAS registry number 81-15-2. Its molecular formula is C12H15N3O6 and its molecular weight is 297.26 g/mol. Its systematic (IUPAC) name is 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene. It is also known as Musk xylene or Musk xylol.

Store sealed in a dry, well-ventilated location away from incompatible materials. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Key uses span organic synthesis, dye and pigment intermediates and heterocycle construction. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer 5-tert-Butyl-2,4,6-trinitro-m-xylene in 25 g packs with a batch-specific COA, and ship to customers worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request. Larger quantities and custom packaging are available. Request a quote for pricing and lead time.

Typical applications

Organic synthesis
Dye & pigment intermediates
Heterocycle construction

Industries

Specifications & identifiers

Chemical identifiers
Product name	5-tert-Butyl-2,4,6-trinitro-m-xylene
Catalogue No.	VQ-020173
CAS Number	81-15-2
IUPAC name	1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
Molecular formula	C₁₂H₁₅N₃O₆
Molecular weight	297.26 g/mol
Exact mass	297.0961
InChIKey	XMWRWTSZNLOZFN-UHFFFAOYSA-N
SMILES	CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
PubChem CID	62329

Physical properties
Physical form	Other
LogP (XLogP3)	3.8
H-bond donors / acceptors	0 / 6
TPSA	137 Å²
Synonyms	Musk xylene, Musk xylol, Xylene musk, 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene, 5-tert-Butyl-2,4,6-trinitroxylene, 2,4,6-Trinitro-5-tert-butyl-m-xylene, m-Xylene, 5-tert-butyl-2,4,6-trinitro-, 2,4,6-Trinitro-3,5-dimethyl-1-tert-butylbenzene, 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene, Benzene, 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-, 2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene

Safety & hazard information (GHS)

Explosive

Health hazard

Environmental hazard

Signal word: Warning

Hazard statements

H201(deleted) explosive, mass explosion hazard
H351Suspected of causing cancer
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects

Precautionary statements: P203, P210, P230, P240, P250, P273, P280, P318, P370 + P380, P372, P373, P391, P401, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 5-tert-Butyl-2,4,6-trinitro-m-xylene?

The CAS Registry Number of 5-tert-Butyl-2,4,6-trinitro-m-xylene is 81-15-2. It is also known as Musk xylene, Musk xylol, Xylene musk.

What is the molecular formula and molecular weight of 5-tert-Butyl-2,4,6-trinitro-m-xylene?

5-tert-Butyl-2,4,6-trinitro-m-xylene has the molecular formula C12H15N3O6 and a molecular weight of 297.26 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene.

Which grade and pack sizes of 5-tert-Butyl-2,4,6-trinitro-m-xylene can I order?

We supply 5-tert-Butyl-2,4,6-trinitro-m-xylene, in 25 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 5-tert-Butyl-2,4,6-trinitro-m-xylene?

Yes. Every lot of 5-tert-Butyl-2,4,6-trinitro-m-xylene is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 5-tert-Butyl-2,4,6-trinitro-m-xylene be shipped internationally?

Yes. 5-tert-Butyl-2,4,6-trinitro-m-xylene is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.