This is a demo store. No orders will be fulfilled.

 
Call +1 (833) 552-7181 or Contact us
Toggle Nav
My Cart
Search
Advanced Search
Menu
Account
Settings
྾
main product photo

4-tert-Butyl-3-methoxy-2,6-dinitrotoluene - 99%, high purity , CAS No.83-66-9

COA COA
    Grade & Purity:
  • ≥99%
In stock
Item Number
T162700
Grouped product items
SKU Size
Availability
 Price Qty
T162700-5g
5g
5
$12.90
T162700-25g
25g
8
$49.90
T162700-100g
100g
9
$177.90
T162700-500g
500g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$265.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro- | Musk ambrette (VAN) | 6-tert-Butyl-3-methyl-2,4-dinitroanisol | Anisole, 6-tert-butyl-3-methyl-2,4-dinitro- | NSC 46122 | Benzene,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro- | Musk ambr
Specifications & Purity ≥99%
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Toluenes
Intermediate Tree Nodes Nitrotoluenes
Direct Parent Dinitrotoluenes
Alternative Parents Nitrophenyl ethers  Phenylpropanes  Methoxyanilines  Phenoxy compounds  Nitroaromatic compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Dinitrotoluene - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Phenylpropane - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.
External Descriptors C-nitro compound

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

lef Anthrax lethal factor (7585 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488180148
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488180148
IUPAC Name 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
INCHI InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
InChIKey SUAUILGSCPYJCS-UHFFFAOYSA-N
Smiles CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]
Isomeric SMILES CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]
RTECS BZ8575000
PubChem CID 6753
UN Number 2811
Packing Group I
Molecular Weight 268.27
Reaxy-Rn 1889437

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
L1825147 Certificate of Analysis Oct 18, 2022 T162700
E2308075 Certificate of Analysis Oct 18, 2022 T162700
E2308068 Certificate of Analysis Oct 18, 2022 T162700
H2212248 Certificate of Analysis Aug 16, 2022 T162700

Chemical and Physical Properties

Boil Point(°C) 185 °C/16 mmHg
Melt Point(°C) 86 °C
Molecular Weight 268.270 g/mol
XLogP3 3.600
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 268.106 Da
Monoisotopic Mass 268.106 Da
Topological Polar Surface Area 101.000 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 355.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.

Privacy Policy Website Terms of Use Return policy Terms and Conditions of Sale Cookie Policy Sales Policy
Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
Copyright © 2023-present Aladdin Scientific Corp . All rights reserved.