Home Amines 496-72-0
496-72-0,MFCD00007728
Catalog No.:AA003ICQ
496-72-0 | 3,4-Diaminotoluene
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98%(HPLC)
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25g
98%(HPLC)
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100g
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  • Technical Information
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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
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
InChI Key:
DGRGLKZMKWPMOH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)N)N
EC Number:
207-826-2
UNII:
OE7HJ54P5C
NSC Number:
1495
UN Number:
2810
Properties
Computed Properties
 
Complexity:
92.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
122.171g/mol
Monoisotopic Mass:
122.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
1-methyl-3,4-phenylenediamine 
2-aminotoluidine 
1,2-Benzenediamine, 4-methyl- 
ST51038573 
TL80073504 
EN300-41268 
M-7239 
3,4-Diaminotoluene, 99%, purified by sublimation 
A827789 
AC-907/25014184 
W-106015 
4-Methyl-o-phenylenediamine, purum, >=98.0% (NT) 
F0001-1293 
4-Methyl-1,2-phenylenediamine 
Z1245635723 
4-Methyl-o-phenylenediamine, Vetec(TM) reagent grade, 97% 
UNII-NJX12DY6BY component DGRGLKZMKWPMOH-UHFFFAOYSA-N 
InChI=1/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H 
9AY 
Toluenediamine 
null 
2,4-Toluene diamine 
1, 4-methyl- 
RCRA waste no. U221 
Toluene-3,4-diamine 
Benzenediamine, ar-methyl- 
2,4,6-Trichloropyrimidine 
1,2-Diamino-4-ethylbenzene 
C7H10N2 
CID10332 
AR-1E9345 
C7-H10-N2 
NA2810 
UN2810 
ZINC00331686 
4-Methyl-1,2-benzenediamine 
3,4-DIAMINOTOLUENE DIHYDROCHLORIDE 
3,4-Diaminotoluene, 97% - 100G 100g 
4- methyl- o- phenylenediamine (CI 76042) 
4,5,6,7-Tetrahydrothieno[3,2,c] Pyridine HCl 
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride 
28783-41-7 
636-24-8 
64194-61-2 
3,4-Tolylenediamine 
3,4-Toluylenediamine 
1,2-Diamino-4-methylbenzene 
4-Methyl-1,2-diaminobenzene 
3,4-Diamino-1-methylbenzene 
UNII-OE7HJ54P5C 
3,4-toluenediamine 
NSC 1495 
2-amino-4-methylphenylamine 
CCRIS 4611 
HSDB 6070 
Tolylene-3,4-diamine 
EINECS 207-826-2 
BRN 0507965 
OE7HJ54P5C 
3,4-Diaminotoluene, 97% 
DGRGLKZMKWPMOH-UHFFFAOYSA-N 
o-aminotoluidine 
MFCD00007728 
DSSTox_CID_4930 
DSSTox_RID_77586 
DSSTox_GSID_24930 
CAS-496-72-0 
3,4-Toluendiamine 
3,4 diamino toluene 
3,4-toluene diamine 
PubChem19699 
ACMC-1AIEU 
toluene-3,4-diamine 
AC1Q2IRO 
AC1Q2IRP 
Tolue- ne-3,4-Diamine 
AC1L1UZ8 
WLN: ZR BZ D1 
3,4-DIAMINO TOLUENE 
4-13-00-00260 (Beilstein Handbook Reference) 
KSC235O4F 
MLS002454370 
SCHEMBL102738 
3,4-DIAMINOTOLUENE 
4-methyl-benzene-1,2-diamine 
AC1Q53D7 
CHEMBL1319452 
DTXSID9024930 
4-methyl-benzene-1, 2-diamine 
CTK1D5742 
NSC1495 
(2-amino-5-methyl-phenyl)-amine 
HMS3039M17 
ZINC331686 
496-72-0 
ACT07297 
KS-00000ND0 
NSC-1495 
STR02446 
Tox21_201749 
Tox21_300507 
ANW-30820 
BBL013178 
SBB007557 
STK895715 
4-methylbenzene-1,2-diamine 
AKOS001476169 
CS-W013550 
LS-1300 
MCULE-4665726211 
RP19479 
RTR-017839 
TRA0070519 
NCGC00091277-01 
NCGC00091277-02 
NCGC00091277-03 
3,4-Toluenediamine 
NCGC00091277-04 
NCGC00091277-05 
NCGC00091277-06 
NCGC00254324-01 
NCGC00259298-01 
AC-10826 
AJ-19450 
AK-45900 
AN-45317 
BR-45900 
4-Methyl-o-phenylenediamine 
CJ-02801 
SC-27301 
SMR001371992 
ZB010580 
AB1002707 
DB-051663 
ST2410243 
TR-017839 
D0125 
FT-0614205 
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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