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

CAS: 496-72-0 Cat. No.: D106444 Peso molecular: 122.17 Beilstein Registry Number: 507965 Número EC: 207-826-2
Disponible para pedir
GRADE & PURITY ≥99.5%
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,
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
D106444-5g
4

53,90US$

67,90US$
Guardar 14,00 US$ (20.62%)
25g
D106444-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

139,90US$

237,90US$
Guardar 98,00 US$ (41.19%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥99.5% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
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,
Especificaciones y pureza
≥99.5%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥99.5%
Nombres e identificadores
Pubchem Sid488181118
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181118
Sonrisas canónicasCC1=CC(=C(C=C1)N)N
IUPAC Name4-methylbenzene-1,2-diamine
InChIKeyDGRGLKZMKWPMOH-UHFFFAOYSA-N
INCHI1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
Isómeros SMILES CC1=CC(=C(C=C1)N)N
WGK Alemania 3
RTECS XS9820000
Número ONU 2810
Grupo de embalaje I
Peso molecular 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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Aminotoluenes
Direct ParentDiaminotoluenes
Alternative Parents Aniline and substituted anilines  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diaminotoluene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
vpr Aberrant vpr protein (14595 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

6 results found

Lot NumberCertificate TypeFechaArticulo
D2613063Certificate of AnalysisApr 21, 2026 D106444
B2510682Certificate of AnalysisFeb 11, 2025 D106444
C23311617Certificate of AnalysisApr 08, 2023 D106444
C1906082Certificate of AnalysisDec 14, 2022 D106444
E2427417Certificate of AnalysisDec 14, 2022 D106444
E1818048Certificate of AnalysisApr 01, 2022 D106444
Propiedades químicas y físicas
Punto de ebullición (°C)265°C
Punto de fusión (°C)89-90°C
Peso molecular122.170 g/mol
XLogP30.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass122.084 Da
Monoisotopic Mass122.084 Da
Topological Polar Surface Area52.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity92.900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
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,      [PMID:38047965] [10.1021/acsnano.3c05627]
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,      [PMID:] [10.1016/j.cej.2024.155113]
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,      [PMID:39956421] [10.1016/j.envres.2025.121140]
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,      [PMID:] [10.1016/j.molstruc.2024.138676]
Calculadoras de soluciones
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