2,4-Diaminotoluene(2,4-TDA) - ≥98% , CAS No.95-80-7

CAS: 95-80-7 Cat. No.: D103649 Summenformel: C₇H₁₀N₂ Molekulargewicht: 122.17 Beilstein Registry Number: 13124 EG-Nummer: 202-453-1

GRADE & PURITY ≥98%

Synonyms

4-methylbenzene-1,3-diamine | Eucanine GB | Benzofur MT | 2,4-Toluenediamine | m-Toluenediamine | Fourrine M | Tertral G | Pelagol J | Developer T | TOLUENE-2,4-DIAMINE | Developer DBJ | m-Tolylenediamine | Developer mtd

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyme

4-methylbenzene-1,3-diamine | Eucanine GB | Benzofur MT | 2,4-Toluenediamine | m-Toluenediamine | Fourrine M | Tertral G | Pelagol J | Developer T | TOLUENE-2,4-DIAMINE | Developer DBJ | m-Tolylenediamine | Developer mtd

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

FedEx DG Service

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504751286

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751286

Kanonisches Lächeln

CC1=C(C=C(C=C1)N)N

IUPAC Name

4-methylbenzene-1,3-diamine

InChIKey

VOZKAJLKRJDJLL-UHFFFAOYSA-N

INCHI

1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3

Isomere SMILES

CC1=C(C=C(C=C1)N)N

RTECS

XS9625000

UN-Nummer

1709(solid)3418(solution)

Verpackungsgruppe

III

Molekulargewicht

122.17

Beilstein

13124

Reaxy-Rn

2205839

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205839&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Toluenes
        • Ebene5 Aminotoluenes
          • Ebene6 Diaminotoluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Aminotoluenes
• Direct Parent: Diaminotoluenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diaminotoluene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diaminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group exactly 2 amino groups.
• External Descriptors: aminotoluene

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CASP1 Tchem Caspase-1 (6235 Activities)

Discover Target: CASP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Very soluble in Ether,Benzene,Alcohol,Chloroform
• Empfindlichkeit: light &air & Moisture sensitive.
• Siedepunkt (°C): 280°C
• Schmelzpunkt (°C): 99°C
• Molekulargewicht: 122.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 122.084 Da
• Monoisotopic Mass: 122.084 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.900
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 95-80-7, the molecular formula is C7H10N2, and the molecular weight is 122.17 g/mol. InChIKey VOZKAJLKRJDJLL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.