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3,4-Diaminotoluene - 99.5%, high purity , CAS No.496-72-0

4 Citations COA COA
    Grade & Purity:
  • ≥99.5%
In stock
Item Number
D106444
Grouped product items
SKU Size
Availability
 Price Qty
D106444-5g
5g
4
$67.90
D106444-25g
25g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$237.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms AC-907/25014184 | BBL013178 | MLS002454370 | 3,4-Diamino-1-methylbenzene | W-106015 | 9AY | D77752 | NSC 1495 | Tox21_201749 | 3,4-DIAMINOTOLUENE [HSDB] | AMY22503 | 1,2-Benzenediamine, 4-methyl- | CAS-496-72-0 | HMS3039M17 | 4-Methyl-o-phenylenediamine,
Specifications & Purity ≥99.5%
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class 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
Description 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 Not available

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 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
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
vpr Aberrant vpr protein (14595 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 488181118
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181118
IUPAC Name 4-methylbenzene-1,2-diamine
INCHI InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChIKey DGRGLKZMKWPMOH-UHFFFAOYSA-N
Smiles CC1=CC(=C(C=C1)N)N
Isomeric SMILES CC1=CC(=C(C=C1)N)N
WGK Germany 3
RTECS XS9820000
UN Number 2810
Packing Group I
Molecular Weight 122.17
Beilstein 507965
Reaxy-Rn 507965
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507965&ln=

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.

5 results found

Lot Number Certificate Type Date Item
B2510682 Certificate of Analysis Feb 11, 2025 D106444
C23311617 Certificate of Analysis Apr 08, 2023 D106444
C1906082 Certificate of Analysis Dec 14, 2022 D106444
E2427417 Certificate of Analysis Dec 14, 2022 D106444
E1818048 Certificate of Analysis Apr 01, 2022 D106444

Chemical and Physical Properties

Boil Point(°C) 265°C
Melt Point(°C) 89-90°C
Molecular Weight 122.170 g/mol
XLogP3 0.600
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

Citations of This Product

How to Cite Aladdin Scientific Products?
1. Xiaomin Liu, Mingkun Wang, Yichao Jiang, Xinyi Zhang, Changrong Shi, Fantian Zeng, Yatong Qin, Jinmin Ye, Jiaying Hu, Zijian Zhou.  (2023)  Magnetic Resonance Imaging Nanoprobe Quantifies Nitric Oxide for Evaluating M1/M2 Macrophage Polarization and Prognosis of Cancer Treatments.  ACS Nano,     
2. Zhengwen Wei, Liuqing Li, Wei Wang, Wankui Ni, Xiang-fei Lü, Giuseppe Mele, Zhen-Yi Jiang.  (2024)  Interpreting the removal behaviours of aniline and 3,4-diaminotoluene on aromatic carbon-rich magnetic polymer: Statistical modelling, DFT quantitative calculations and new perspectives.  CHEMICAL ENGINEERING JOURNAL,  498  (155113). 
3. Zhengwen Wei, Wankui Ni, Giuseppe Mele, Xiang-Fei Lü, Wei Wang, Zhen-Yi Jiang.  (2025)  Recyclable magnetic composites prepared by a novel reverse encapsulation reaction to increase benzene rings reactive sites for enhanced removal of 3,4-diaminotoluene: Theoretical prediction with experimental statistics.  ENVIRONMENTAL RESEARCH,  271  (121140). 
4. Liang Jiao, Meifen Huang, Jiajun Xu, Qiuling Yang, Qiong Wu.  (2024)  Two halogenated coplanar Schiff base complexes: Insights into the impact of halogen substitution on intermolecular interactions via theoretical calculations.  JOURNAL OF MOLECULAR STRUCTURE,  1312  (138676). 

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