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Substance Name: Toluene 2,4-diisocyanate
RN: 584-84-9
UNII: 17X7AFZ1GH
InChIKey: DVKJHBMWWAPEIU-UHFFFAOYSA-N

Note

  • Skin irritant and allergen used in the manufacture of polyurethane foams and other elastomers.

Molecular Formula

  • C9-H6-N2-O2

Molecular Weight

  • 174.1584
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Skin / Eye Irritant
  • TSCA Flag SP (Substance is Identified in a Proposed Significant New Use Rule)
  • Tumor Data

Superlist Classification Codes

  • Ceiling 0.02 ppm (0.14 mg/m3)
  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 500 lb
  • TWA (0.005 ppm); STEL (0.02 ppm); Not classifiable as a human carcinogen

Names and Synonyms

Name of Substance

  • Toluene 2,4-diisocyanate

MeSH Heading

  • Toluene 2,4-diisocyanate

Synonyms

  • 2,4-Diisocyanato-1-methylbenzene
  • 2,4-Diisocyanatotoluene
  • 2,4-TDI
  • 2,4-Toluene diisocyanate
  • 2,4-Tolylene diisocyanate
  • 4-13-00-00243 (Beilstein Handbook Reference)
  • 4-Methyl-m-phenylene diisocyanate
  • AI3-15101
  • Benzene, 2,4-diisocyanato-1-methyl-
  • BRN 0744602
  • CCRIS 3742
  • Cresorcinol diisocyanate
  • Desmodur T80
  • Di-iso-cyanatoluene
  • Di-isocyanate de toluylene
  • Di-isocyanate de toluylene [French]
  • Diisocyanat-toluol
  • Diisocyanat-toluol [German]
  • EC 209-544-5
  • EINECS 209-544-5
  • HSDB 874
  • Hylene T
  • Hylene tlc
  • Isocyanic acid, 4-methyl-m-phenylene ester
  • Mondur TD
  • Mondur TD-80
  • Mondur TDS
  • Nacconate IOO
  • NCI-C50533
  • NSC 4791
  • NSC 56759
  • RCRA waste number U223
  • TDI
  • TDI-80
  • Tolueen-diisocyanaat
  • Tolueen-diisocyanaat [Dutch]
  • Toluen-disocianato
  • Toluen-disocianato [Italian]
  • Toluene, 2,4-diisocyanato-
  • Toluene-2,4-diisocyanate
  • Toluilenodwuizocyjanian
  • Toluilenodwuizocyjanian [Polish]
  • Toluylene-2,4-diisocyanate
  • Tolyene 2,4-diisocyanate
  • Tolylene diisocyanate
  • Tolylene-2,4-diisocyanate
  • Tuluylendiisocyanat
  • Tuluylendiisocyanat [German]
  • UN 2078
  • UNII-17X7AFZ1GH

Systematic Names

  • 2,4-Diisocyanato-1-methylbenzene (9CI)
  • 2,4-Toluene diisocyanate
  • 4-Methyl-m-phenylene diisocyanate
  • Benzene, 2,4-diisocyanato-1-methyl-
  • Isocyanic acid, 4-methyl-m-phenylene ester (8CI)

Superlist Names

  • 2,4-Diisocyanato-1-methylbenzene [Toluenediisocyanates]
  • 2,4-Toluene diisocyanate
  • Benzene, 1,3-diisocyanatomethyl-
  • Benzene, 2,4-diisocyanato-1-methyl-
  • Isocyanic acid, 4-methyl-m-phenylene ester
  • RCRA waste no. U223
  • TDI
  • Toluene 2,4-diisocyanate
  • Toluene diisocyanate
  • Toluene-2,4-diisocyanate

Registry Numbers

CAS Registry Number

  • 584-84-9

FDA UNII

  • 17X7AFZ1GH

Other Registry Numbers

  • 1260158-01-7
  • 1358624-38-0
  • 59539-76-3
  • 856307-56-7
  • 86-91-9

System Generated Number

  • 0000584849

Structure Descriptors

InChI

1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3

InChIKey

DVKJHBMWWAPEIU-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1N=C=O)N=C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
guinea pig LC50 inhalation 13ppm/4H (13ppm) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION

LUNGS, THORAX, OR RESPIRATION: CHANGES IN PULMONARY VASCULAR RESISTANCE
American Industrial Hygiene Association Journal. Vol. 23, Pg. 447, 1962.
human TCLo inhalation 20ppb/2Y (0.02ppm) LUNGS, THORAX, OR RESPIRATION: COUGH

LUNGS, THORAX, OR RESPIRATION: SPUTUM
Proceedings of the Royal Society of Medicine. Vol. 63, Pg. 372, 1970.
human TCLo inhalation 80ppb (0.08ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Archiv fuer Toxikologie. Vol. 19, Pg. 364, 1962.
human TCLo inhalation 500ppb (0.5ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Journal of Occupational Medicine. Vol. 1, Pg. 448, 1959.
mouse LC50 inhalation 10ppm/4H (10ppm) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

LUNGS, THORAX, OR RESPIRATION: CHANGES IN PULMONARY VASCULAR RESISTANCE
American Industrial Hygiene Association Journal. Vol. 23, Pg. 447, 1962.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07807,
rabbit LC50 inhalation 11ppm/4H (11ppm) 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.
rabbit LD50 skin > 16mL/kg (16mL/kg)   Union Carbide Data Sheet. Vol. 3/8/1973,
rat LC50 inhalation 14ppm/4H (14ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
American Industrial Hygiene Association Journal. Vol. 23, Pg. 447, 1962.
rat LD50 oral 5800mg/kg (5800mg/kg) GASTROINTESTINAL: OTHER CHANGES AMA Archives of Industrial Health. Vol. 15, Pg. 324, 1957.
women TCLo inhalation 300ppt/8H/5D (0.0003ppm) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION Lancet. Vol. 1, Pg. 756, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 20.5 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 0.008 mm Hg 20 EXP
Henry's Law Constant 1.11E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.26E-12 cm3/molecule-sec 25 EST

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