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Substance Name: Toluene diisocyanate
RN: 26471-62-5
UNII: 9MTX1PK3QO

Molecular Formula

  • C9-H6-N2-O2

Molecular Weight

  • 175.1663
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)
  • Tumor Data

Superlist Classification Codes

  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 100 lb

Names and Synonyms

Name of Substance

  • Toluene diisocyanate

Synonyms

  • 1,3-Diisocyanatomethylbenzene
  • 2,4/2,6-Toluene diisocyanate isomeric mixture
  • Benzene, 1,3-diisocyanatomethyl-
  • CCRIS 596
  • Desmodur T 80
  • Desmodur T100
  • Diisocyanatotoluene
  • EC 247-722-4
  • EINECS 247-722-4
  • HSDB 6003
  • Isocyanic acid, methyl-m-phenylene ester
  • Methyl-m-phenylene isocyanate
  • Methyl-meta-phenylene diisocyanate
  • Methylphenylene isocyanate
  • Mondur TD-80
  • Nacconate-100
  • Niax isocyanate TDI
  • RCRA waste number U223
  • Rubinate TDI
  • Rubinate TDI 80/20
  • TDI
  • TDI 80-20
  • Toluene diisocyanate
  • Tolylene diisocyanate
  • Tolylene isocyanate
  • UN 2078
  • UNII-9MTX1PK3QO

Systematic Names

  • Benzene, 1,3-diisocyanatomethyl-
  • Isocyanic acid, methyl-m-phenylene ester
  • m-Tolylidene diisocyanate
  • Toluene diisocyanate

Superlist Names

  • 1,3-Diisocyanatomethylbenzene
  • 1,3-Diisocyanatomethylbenzene [Toluenediisocyanates]
  • 2,4- and 2,6-Toluene diisocyanate
  • 2,4-Toluene diisocyanate
  • Benzene, 1,3-diisocyanatomethyl-
  • Isocyanic acid, methyl-m-phenylene ester
  • RCRA waste no. U223
  • TDI
  • Toluene diisocyanate
  • Toluene diisocyanate [UN2078] [Poison]
  • Toluene-2,4-diisocyanate (mixt. with Toluene-2,6-diisocyanate)
  • Toluenediisocyanate (mixed isomers)
  • UN2078

Registry Numbers

CAS Registry Number

  • 26471-62-5

FDA UNII

  • 9MTX1PK3QO

Other Registry Numbers

  • 104213-33-4
  • 110681-06-6
  • 1186289-23-5
  • 1204229-13-9
  • 1204746-08-6
  • 1211316-67-4
  • 1321-39-7
  • 136154-22-8
  • 25321-34-0
  • 29033-29-2
  • 50853-47-9
  • 50985-24-5
  • 71215-63-9
  • 72214-34-7
  • 80498-23-3
  • 89698-92-0

System Generated Number

  • 0026471625

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC50 inhalation 12700ppb/4H (12.7ppm) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
American Industrial Hygiene Association Journal. Vol. 23, Pg. 447, 1962.
mouse LC50 inhalation 9700ppb/4H (9.7ppm) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
American Industrial Hygiene Association Journal. Vol. 23, Pg. 447, 1962.
mouse LD50 oral 1950mg/kg (1950mg/kg)   Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.
rabbit LC50 inhalation 11ppm/4H (11ppm) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
American Industrial Hygiene Association Journal. Vol. 23, Pg. 447, 1962.
rabbit LD50 skin > 10mL/kg (10mL/kg)   Union Carbide Data Sheet. Vol. 1/11/1967,
rat LCLo inhalation 600ppm/6H (600ppm)   Union Carbide Data Sheet. Vol. 1/11/1967,
rat LD50 oral 4130mg/kg (4130mg/kg)   American Industrial Hygiene Association Journal. Vol. 43, Pg. 89, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 20 deg C   EXP
Boiling Point 251 deg C   EXP
log P (octanol-water) 3.740 (none)   EST
Water Solubility 37.6 mg/L 25 EST
Vapor Pressure 0.023 mm Hg 25 EXP
Henry's Law Constant 1.11E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.07E-12 cm3/molecule-sec 25 EXP

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