2,6-Diaminotoluene - ≥98% , CAS No.823-40-5

CAS: 823-40-5 Cat. No.: D103021 Molecular Weight: 122.17 Beilstein Registry Number: 2079476 EC Number: 212-513-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
(3-amino-2-methyl-phenyl)amine | 3-13-00-00291 (Beilstein Handbook Reference) | NSC147490 | NSC-147490 | A840303 | 2,6-DIAMINOTOLUENE | NSC 147490 | MFCD00007800 | FT-0666394 | NCGC00090710-01 | 1,3-DIAMINO-2-METHYLBENZENE | 2-Methyl-1,3-benzenediamine (A
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice,FedEx DG Service
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
D103021-5g
3
$9.90
25g
D103021-25g
1
$18.90
100g
D103021-100g
3
$54.90
500g
D103021-500g
1
$199.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice,FedEx DG Service 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
(3-amino-2-methyl-phenyl)amine | 3-13-00-00291 (Beilstein Handbook Reference) | NSC147490 | NSC-147490 | A840303 | 2, 6-DIAMINOTOLUENE | NSC 147490 | MFCD00007800 | FT-0666394 | NCGC00090710-01 | 1, 3-DIAMINO-2-METHYLBENZENE | 2-Methyl-1, 3-benzenediamine (A
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice, FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid504752434
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752434
Canonical SmilesCC1=C(C=CC=C1N)N
IUPAC Name2-methylbenzene-1,3-diamine
InChIKeyRLYCRLGLCUXUPO-UHFFFAOYSA-N
INCHI1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
Isomeric SMILES CC1=C(C=CC=C1N)N
WGK Germany 3
RTECS XS9750000
UN Number 3077
Packing Group III
Molecular Weight 122.17
Beilstein 2079476
Reaxy-Rn 2079476
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079476&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
ClassBenzene 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
DescriptionThis 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 primary amino compound - diamine
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 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
Associated Targets(non-human)
PIK3CA PI3-kinase p110-alpha subunit (51 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 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
Mechanisms of Action
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.

10 results found

Lot NumberCertificate TypeDateItem
H1808124Certificate of AnalysisMar 20, 2026 D103021
I2130231Certificate of AnalysisJul 10, 2025 D103021
I2130233Certificate of AnalysisJul 10, 2025 D103021
D2412137Certificate of AnalysisApr 03, 2024 D103021
D2412138Certificate of AnalysisApr 03, 2024 D103021
D2412139Certificate of AnalysisApr 03, 2024 D103021
D2412140Certificate of AnalysisApr 03, 2024 D103021
D2420098Certificate of AnalysisMar 25, 2024 D103021
D2420099Certificate of AnalysisMar 25, 2024 D103021
K2224219Certificate of AnalysisAug 11, 2021 D103021
Chemical and Physical Properties
SolubilitySoluble in Alcohol,Ether
Sensitivityair sensitive
Boil Point(°C)282°C
Melt Point(°C)104-106 °C
Molecular Weight122.170 g/mol
XLogP30.900
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
Complexity82.900
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
Documents & Articles
Citations of This Product
References
1. Xinlin Zha, Guilin Xu, Yi Xiong, Zhong Yan, Ke Liu, Mufang Li, Yuanli Chen, Jing Lu, Dong Wang.  (2022)  Modulating the Macroscopic Helicity of Poly(m-phenylenediamine) by Achiral Monomer Copolymerization.  ADVANCED FUNCTIONAL MATERIALS,  33  (3): (2211956).  [PMID:] [10.1002/adfm.202211956]
2. Can Chen, Guotong Ruan, Yujie Sun, Lili Wang, Chengwu Zhang, Jinhua Liu.  (2021)  In situ Cu2+-triggered wavelength-tunable fluorescent sensor for highly sensitive sensing inorganic pyrophosphatase activity and its logic gate application.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2021.130439]
3. Huilin Gou, Yanfeng Liu, Guiyang Zhang, Qiaobo Liao, Xin Huang, Fangyi Ning, Can Ke, Zhen Meng, Kai Xi.  (2019)  Lifetime-tunable room-temperature phosphorescence of polyaniline carbon dots in adjustable polymer matrices.  Nanoscale,  11  (39): (18311-18319).  [PMID:31573008] [10.1039/C9NR05561D]
4. Rui Xiong, Meiling Chen, Xin Cui, Qi Wang, Xiaowang Liu, Baoyou Geng.  (2019)  Simultaneous and Reversible Triggering of the Phase Transfer and Luminescence Change of Amidine-Modified Carbon Dots by CO2.  ACS Applied Materials & Interfaces,      [PMID:31198041] [10.1021/acsami.9b05421]
5. Bingyu Zhao, Haojie Li, Zian Chen, Jiawei Lin, Yaodong Liu.  (2024)  Enhancing gas separation performance of polyimide with Tröger’s bases: Unveiling the impact on polymer and carbon molecular sieve membranes.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126286]
6. Ao Tang, Zhuo Chen, Huijie Nie, Jie Dong, Xin Zhao, Xiuting Li, Qingsong Xu, Qinghua Zhang.  (2025)  Polyimide gas separation membrane with an ultrahigh molecule sieving ability by interchain hydrogen-bonding and thermo-oxidative cross-linking networks.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.132333]
Solution Calculators
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