Home Amines 496-72-0
496-72-0,MFCD00007728
Catalog No.:AA003ICQ

496-72-0 | 3,4-Diaminotoluene

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25g
97%
in stock  
$6.00   $4.00
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100g
97%
in stock  
$17.00   $12.00
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500g
97%
in stock  
$83.00   $58.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003ICQ
Chemical Name:
3,4-Diaminotoluene
CAS Number:
496-72-0
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
MDL Number:
MFCD00007728
SMILES:
Cc1ccc(c(c1)N)N
NSC Number:
1495
UN Number:
2810
Properties
Properties
 
BP:
262.3°C at 760 mmHg  
Form:
Solid  
MP:
87-89 °C(lit.)  
Refractive Index:
1.5103 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
92.9  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
XLogP3:
0.6  

Upstream Synthesis Route

[1]Molecules,2015,vol.20,#8,p.15206-15223

[2]BulletinoftheKoreanChemicalSociety,2013,vol.34,#4,p.1272-1274

[3]RussianJournalofGeneralChemistry,2017,vol.87,#12,p.3006-3016

[4]Patent:US2018/44324,2018,A1,.Locationinpatent:Paragraph0614

[5]ChemischeBerichte,1912,vol.45,p.3495

[6]JournaloftheAmericanChemicalSociety,1957,vol.79,p.4391,4393

[7]JournaloftheChemicalSociety,1950,p.1600,1602

[8]BiochemischeZeitschrift,1955,vol.327,p.422,447

[9]BioorganicandMedicinalChemistryLetters,2012,vol.22,#2,p.933-936

[10]EuropeanJournalofMedicinalChemistry,2016,vol.122,p.584-600

[1]Patent:US2005/282820,2005,A1,.Locationinpatent:Page/Pagecolumn17-18

[2]JournaloftheChemicalSociety-PerkinTransactions1,1999,#7,p.803-810

[3]JournaloftheAmericanChemicalSociety,1947,vol.69,p.795,796

[1]JournalofCatalysis,2012,vol.292,p.118-129

[1]JournalofChemicalSciences,2017,vol.129,#2,p.141-148

[2]HeteroatomChemistry,2012,vol.23,#5,p.472-477

[3]TetrahedronLetters,2011,vol.52,#49,p.6597-6602

[4]ChineseChemicalLetters,2011,vol.22,#6,p.753-756

[5]Patent:US2007/179144,2007,A1,.Locationinpatent:Page/Pagecolumn4

[6]Synthesis(Germany),2013,vol.45,#11,p.1546-1552

[7]Patent:WO2006/127458,2006,A2,.Locationinpatent:Page/Pagecolumn112

[8]Patent:WO2006/133381,2006,A2,.Locationinpatent:Page/Pagecolumn7

[9]Patent:US2006/264631,2006,A1,.Locationinpatent:Page/Pagecolumn37

[10]Patent:US2006/270848,2006,A1,.Locationinpatent:Page/Pagecolumn39

[11]ChemischeBerichte,1884,vol.17,p.320

[12]JustusLiebigsAnnalenderChemie,1887,vol.237,p.334

[13]ChemischeBerichte,17Ref.<1884>,573,vol.<4>8,p.220,221

[14]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1982,p.357-364

[15]RussianJournalofGeneralChemistry,1997,vol.67,#2,p.285-294

[16]JustusLiebigsAnnalenderChemie,1887,vol.237,p.339

[17]JustusLiebigsAnnalenderChemie,1896,vol.292,p.246

[1]JournalofOrganometallicChemistry,2014,vol.775,p.94-100

Downstream Synthesis Route

[1]Synlett,2018,vol.29,p.1765-1768

[2]Tetrahedron,2017,vol.73,p.3898-3904

[3]ChemischeBerichte,1891,vol.24,p.564

[4]JournalofHeterocyclicChemistry,1987,vol.24,p.1771-1775

[5]SyntheticCommunications,2007,vol.37,p.3455-3470

[6]Patent:US2007/10542,2007,A1.Locationinpatent:Page/Pagecolumn71-72

[7]Molecules,2014,vol.19,p.9736-9759

[8]ACSCatalysis,2015,vol.5,p.3767-3778

[9]RSCAdvances,2016,vol.6,p.103065-103071

[10]Patent:CN106234373,2016,A.Locationinpatent:Paragraph0015;0029

[11]Patent:CN106432108,2017,A.Locationinpatent:Paragraph0027

[12]JournalofMedicinalChemistry,2017,vol.60,p.6289-6304

[13]Patent:CN107501236,2017,A.Locationinpatent:Paragraph0020;0021;0022

[14]RSCAdvances,2019,vol.9,p.8600-8607

[1]ChemischeBerichte,1892,vol.25,p.2711

[1]JournalofChemicalSciences,2017,vol.129,p.141-148

[2]HeteroatomChemistry,2012,vol.23,p.472-477

[3]TetrahedronLetters,2011,vol.52,p.6597-6602

[4]ChineseChemicalLetters,2011,vol.22,p.753-756

[5]Patent:US2007/179144,2007,A1.Locationinpatent:Page/Pagecolumn4

[6]Synthesis,2013,vol.45,p.1546-1552

[7]Patent:WO2006/127458,2006,A2.Locationinpatent:Page/Pagecolumn112

[8]Patent:WO2006/133381,2006,A2.Locationinpatent:Page/Pagecolumn7

[9]JournalofOrganicChemistry,2020,vol.85,p.745-757

[10]Patent:US2006/264631,2006,A1.Locationinpatent:Page/Pagecolumn37

[11]Patent:US2006/270848,2006,A1.Locationinpatent:Page/Pagecolumn39

[12]ChemischeBerichte,1884,vol.17,p.320    JustusLiebigsAnnalenderChemie,1887,vol.237,p.334

[13]JournaloftheChemicalSociety.PerkintransactionsI,1982,p.357-364

[14]RussianJournalofGeneralChemistry,1997,vol.67,p.285-294

[15]JustusLiebigsAnnalenderChemie,1887,vol.237,p.339    JustusLiebigsAnnalenderChemie,1896,vol.292,p.246

[16]Tetrahedron,2019,vol.75,p.1425-1430

[1]Patent:US2005/282820,2005,A1.Locationinpatent:Page/Pagecolumn17-18

[2]JournaloftheChemicalSociety.PerkintransactionsI,1999,p.803-810

[3]JournaloftheAmericanChemicalSociety,1947,vol.69,p.795,796

[1]TetrahedronLetters,2017,vol.58,p.4304-4307

[2]JournalofChemicalResearch-PartS,1996,p.92-93

[3]JournaloftheChemicalSociety.PerkintransactionsI,1988,p.681-690

[4]ChemischeBerichte,1886,vol.19,p.2654

Literature

Title: Contact dermatitis to para-phenylenediamine in hair dye following sensitization to black henna tattoos - an ongoing problem.

Journal: Journal der Deutschen Dermatologischen Gesellschaft = Journal of the German Society of Dermatology : JDDG 20120801

Title: Biological monitoring for isocyanates.

Journal: The Annals of occupational hygiene 20110301

Title: Racemic 9,10-dimeth-oxy-3-methyl-6-phenyl-7,7a-dihydro-benzo[b]benzo[4,5]isothia-zolo[2,3-d][1,4]diazepine 12,12-dioxide.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

Title: Genetic variability in susceptibility to occupational respiratory sensitization.

Journal: Journal of allergy 20110101

Title: Alternative hair-dye products for persons allergic to para-phenylenediamine.

Journal: Dermatitis : contact, atopic, occupational, drug 20110101

Title: Final amended report of the safety assessment of toluene-2,5-diamine, toluene-2,5-diamine sulfate, and toluene-3,4-diamine as used in cosmetics.

Journal: International journal of toxicology 20100501

Title: The GSTP1 Ile105 Val polymorphism modifies the metabolism of toluene di-isocyanate.

Journal: Pharmacogenetics and genomics 20100201

Title: 2-Methyl-6-(6-methyl-1H-benzimidazol-2-yl)phenol-2-methyl-6-(5-methyl-1H-benzimidazol-2-yl)phenol (3/1).

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: 2-((E)-{2-[(E)-2,3-Dihydroxy-benzyl-ideneamino]-5-methyl-phen-yl}iminiometh-yl)-6-hydroxy-phenolate.

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: A survey of occupational exposure to 4,4'-methylene-bis (2-chloroaniline) (MbOCA) in the UK.

Journal: The Annals of occupational hygiene 20090701

Title: 2-Meth-oxy-6-(6-methyl-1H-benzimid-azol-2-yl)phenol.

Journal: Acta crystallographica. Section E, Structure reports online 20090701

Title: Is toluene diamine a sensitizer and is there cross-reactivity between toluene diamine and toluene diisocyanate?

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20090601

Title: 2-Meth-oxy-6-(6-methyl-1H-benzimidazol-2-yl)phenol.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: 1-Methyl-1H-benzimidazole-2(3H)-thione.

Journal: Acta crystallographica. Section E, Structure reports online 20080601

Title: Urinary excretion of toluene diisocyanates in rats following dermal exposure.

Journal: Journal of applied toxicology : JAT 20080301

Title: Microwave-assisted acid hydrolysis of toluene diamine conjugates in urine samples for biomarkers in toluene diisocyanate analysis.

Journal: Talanta 20070615

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Isolation of a bacterium that degrades urethane compounds and characterization of its urethane hydrolase.

Journal: Applied microbiology and biotechnology 20060401

Title: 2,4-Toluene diisocyanate suppressed the calcium signaling of ligand gated ion channel receptors.

Journal: Toxicology 20060215

Title: Risk evaluation of occupational exposure to methylene dianiline and toluene diamine in polyurethane foam.

Journal: Human & experimental toxicology 20051201

Title: Patch testing with p-toluene diamine preparations of different ages.

Journal: Contact dermatitis 20050801

Title: Reactions of Cp2MCl2 (M=Ti or Zr) with imine-oxime ligands. Formation of metallacycles.

Journal: Molecules (Basel, Switzerland) 20050714

Title: Contact dermatitis in hairdressers, 10 years later: patch-test results in 300 hairdressers (1994 to 2003) and comparison with previous study.

Journal: Dermatitis : contact, atopic, occupational, drug 20050301

Title: Determination of amines as pentafluoropropionic acid anhydride derivatives in biological samples using liquid chromatography and tandem mass spectrometry.

Journal: The Analyst 20040601

Title: Pd(II) and Pt(II) complexes with aromatic diamines: study of their interaction with DNA.

Journal: Journal of inorganic biochemistry 20040301

Title: Is PPD a useful screening agent?

Journal: Contact dermatitis 20030201

Title: Allergic contact dermatitis in hairdressers: frequency and source of sensitisation.

Journal: European journal of dermatology : EJD 20020101

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Tags:496-72-0 Molecular Formula|496-72-0 MDL|496-72-0 SMILES|496-72-0 3,4-Diaminotoluene |Organic_Building_Blocks