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Substance Name: 3,4-Diaminotoluene
RN: 496-72-0
UNII: OE7HJ54P5C
InChIKey: DGRGLKZMKWPMOH-UHFFFAOYSA-N

Molecular Formula

  • C7-H10-N2

Molecular Weight

  • 122.17
 

Classification Codes

Classification Code

  • Mutation Data

Superlist Classification Code

  • Reportable Quantity (RQ) = 10 lb
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Names and Synonyms

Name of Substance

  • 1,2-Benzenediamine, 4-methyl-
  • 3,4-Diaminotoluene
  • 3,4-Toluenediamine
  • 4-Methyl-1,2-benzenediamine
  • 4-Methyl-o-phenylenediamine

Synonyms

  • 1,2-Benzenediamine, 4-methyl-
  • 1,2-Diamino-4-methylbenzene
  • 3,4-Diamino-1-methylbenzene
  • 3,4-Diaminotoluene
  • 3,4-Toluenediamine
  • 3,4-Toluylenediamine
  • 3,4-Tolylenediamine
  • 4-13-00-00260 (Beilstein Handbook Reference)
  • 4-Methyl-1,2-benzenediamine
  • 4-Methyl-1,2-diaminobenzene
  • 4-Methyl-1,2-phenylenediamine
  • 4-Methyl-o-phenylenediamine
  • BRN 0507965
  • CCRIS 4611
  • EINECS 207-826-2
  • HSDB 6070
  • NSC 1495
  • UNII-OE7HJ54P5C

Systematic Names

  • 1,2-Benzenediamine, 4-methyl-
  • 3,4-Diaminotoluene
  • 4-Methyl-1,2-benzenediamine
  • 4-Methyl-o-phenylenediamine
  • Toluene-3,4-diamine

Superlist Names

  • 2,4-Toluene diamine
  • 3,4-Diaminotoluene
  • Benzenediamine, ar-methyl-
  • RCRA waste no. U221
  • Toluene-3,4-diamine
  • Toluenediamine

Registry Numbers

CAS Registry Number

  • 496-72-0

FDA UNII

  • OE7HJ54P5C

System Generated Number

  • 0000496720

Structure Descriptors

InChI

1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3

InChIKey

DGRGLKZMKWPMOH-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C)N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo subcutaneous 100mg/kg (100mg/kg)   Zeitschrift fuer Experimentelle Pathologie und Therapie. Vol. 17, Pg. 59, 1915.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 89.5 deg C   EXP
Boiling Point 265 deg C   EXP
pKa Dissociation Constant 4.68 (none) 25 EXP
log P (octanol-water) 0.66 (none)   EXP
Water Solubility 2.69E+04 mg/L 25 EST
Henry's Law Constant 7.49E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.