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91-08-7,MFCD00002010
Catalog No.:AA003HMZ
91-08-7 | 2-METHYL-M-PHENYLENE DIISOCYANATE
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>98.0%(GC)
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5g
>98.0%(GC)
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Technical Information
Catalog Number:
AA003HMZ
Chemical Name:
2-METHYL-M-PHENYLENE DIISOCYANATE
CAS Number:
91-08-7
MDL Number:
MFCD00002010
IUPAC Name:
1,3-diisocyanato-2-methylbenzene
InChI:
InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
InChI Key:
RUELTTOHQODFPA-UHFFFAOYSA-N
UNII:
78243HXH5O
RTECS Number:
CZ6310000
UN Number:
2078
Properties
Computed Properties
 
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
2,6-diisocyanatotoluene 
2,6-diisocyanatotoluene monoformate 
91-08-7 
1,3-Diisocyanato-2-methylbenzene # 
ANW-43425 
TDI 80-20 
2,4- and 2,6-Toluene diisocyanate 
AKOS015842352 
FCH1116464 
LS-1105 
LS-1915 
RTR-028564 
CAS-91-08-7 
2,6-TDI 
Isocyanic acid, methyl-m-phenylene ester 
NCGC00091052-01 
NCGC00091052-02 
NCGC00091052-03 
NCGC00259210-01 
Toluene diisocyanate (unspecified isomer) 
AN-21213 
AN-24205 
SC-80361 
Toluene diisocyanate [UN2078] [Poison] 
2,6-TOLUENE DIISOCYANATE 
TR-028564 
ST50825052 
2,4/2,6-Toluene diisocyanate isomeric mixture 
091M087 
2,4 (80)-and 2,6 (20)-Toluene Diisocyanate 
1,3-Diisocyanatomethylbenzene [Toluenediisocyanates] 
I14-19979 
2,4 (80%)- and 2,6 (20%)- Toluene Diisocyanate 
2,4 (80%)- and 2,6 (20%)- Toluene Diisocyanate 
UNII-9MTX1PK3QO component RUELTTOHQODFPA-UHFFFAOYSA-N 
1,3-Diisocyanato-2-methylbenzene 
TOLUENE DIISOCYANATE, COMMERCIAL GRADE (2,4 (80%)- 
TOLUENE DIISOCYANATE, MONOMER (2,4-80%, 2,6-20%) 
Toluene-2,4-diisocyanate (mixt. with Toluene-2,6-diisocyanate) 
Isocyanic acid 
Diisocyanatotoluene 
Tolylene diisocyanate 
TOLUENE DIISOCYANATE 
Mondur TD-80 
Diisocyanatomethylbenzene 
2,6-toluene-diisocyanate 
m-Tolylene diisocyanate 
2,4-Toluene diisocyanate 
Rubinate TDI 80/20 
RCRA waste number U223 
2-Methyl-m-phenylendiisocyanat 
2,6-Toluendiisocyanat (TDI) 
Benzene, 1,3-diisocyanatomethyl- 
C9H6N2O2 
TDI-80 
CID7040 
2,4-Diisocyanato-1-methylbenzene 
meta-Tolylene diisocyanate 
KST-1A9295 
(C9-H6-N2-O2)x- 
2,6-diisocyanatotoluene monoformate 
C9-H6-N2-O2 
AR-1B6940 
Benzene, 1,3-diisocyanato-2-methyl 
NA2078 
Benceno, 1,3-diisocianato-2-metil- 
Toluene-2,6-diisocyanate, 97% 1g 
Benzene, 1,3-diisocyanato-2- methyl- 
Toluene 2,6-diisocyanate 
Toluene-2,6-diisocyanate (2,6-TDI) 
2,4-/2,6-Toluene diisocyanate mixture 
2,6-diisocyanatotoluene, conjugate diacid 
2,4- & 2,6-TOLUENE DIISOCYANATE 
T 100 
T1153 
Tolylene-2,6-diisocyanate, 98% - 1G 1g 
500-299-2 (NLP #) 
C026942 
TDI 
Benzene, 1,3-diisocyanato-2-methyl- 
Toluene 2,6-diisocyanate [Benzene, 1,3-diisocyanato-2- methyl-] \1\. 
Toluene diisocyanate, commercial grade (2,4 (80%)- and 2,6 (20%)-) 
Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 2,2'-oxybis(ethanol) 
110839-12-8 
26471-62-5 
584-84-9 
N/A 
2,6-Diisocyanato-1-methylbenzene 
2-Methyl-meta-phenylene isocyanate 
2,6-diisocyanatotoluene, conjugate diacid 
Tolylene 2,6-diisocyanate 
Isocyanic acid, 2-methyl-meta-phenylene ester 
Tolylene-2,6-diisocyanate 
Benzene, 2,6-diisocyanato-1-methyl- 
UNII-78243HXH5O 
CCRIS 3741 
CHEBI:53557 
HSDB 5272 
1,3-diisocyanato-2-methyl-benzene 
EINECS 202-039-0 
2,6-TDI 
RCRA waste no. U223 
UN 2078 
BRN 2211546 
Isocyanic acid, 2-methyl-m-phenylene ester 
RUELTTOHQODFPA-UHFFFAOYSA-N 
78243HXH5O 
GEO-02330 
MFCD00002010 
W-200524 
1,3-Diisocyanato-2-methylbenzene [Toluenediisocyanates] 
2,6-toluene diisocyanate 
Tolylene 2,6-diisocyanate, 97% 
2,6-toluenediisocyanate 
Benzene, 1,3-diisocyanatomethyl-, homopolymer 
Toluene diisocyanate polymer 
mondur-td 
hylene-t 
Rubinate TDI 
Tolylene diisocyanate, homopolymer 
Tolylene isocyanate 
toluone diisocyanate 
2,6-toluene-diisocyanate 
mondur-td-80 
Nacconate-100 
Desmodur T 80 
Desmodur T100 
Toluene diisocyanates 
Niax isocyanate TDI 
UN2078 
9017-01-0 
Toluene diisocy anates 
m-Tolylidene diisocyanate 
toluene 2,6-diisocyanate 
AC1L1NVA 
AC1Q6BMP 
Methylphenylene isocyanate 
Hylene TRF (Salt/Mix) 
DSSTox_CID_6157 
2,6-Tolylene diisocyanate 
Epitope ID:120367 
EC 500-299-2 
Toluene diisocyanate mixture 
Cosmonate TDI (Salt/Mix) 
2,6-Diisocyanatotoluene 
DSSTox_RID_78039 
DSSTox_GSID_26157 
SCHEMBL15092 
Toluene diisocyanate (mixed) 
2,4-/2,6-Toluene diis 
Methyl-m-phenylene isocyanate 
1,3-Diisocyanatomethylbenzene 
4-13-00-00259 (Beilstein Handbook Reference) 
CCRIS 596 
tdi-80-20 
Toluene-2,6-diisocyanate 
2-methyl-meta-phenylene ester 
Toluene diisocyantes (mixture) 
2,6-TDI, analytical standard 
2-Methyl-m-phenylene isocyanate 
CHEMBL1443390 
DTXSID2026157 
CTK3J4599 
HSDB 6003 
Niax isocyanate TDI (Salt/Mix) 
2,4 + 2,6-Toluenediisocyanate 
2-Methyl-m-phenylene diisocyanate 
2-methylbenzene-1,3-diisocyanate 
Methyl-meta-phenylene diisocyanate 
Toluene diisocyanate, oligomeric reaction products with water 
Tolylene-2,6-diisocyanate, 97% 
Toluenediisocyanate (mixed isomers) 
ZINC2012912 
2-Methyl-meta-phenylene diisocyanate 
EINECS 247-722-4 
Toluene diisocyanate (mixed isomers) 
Tox21_201661 
Literature

Title: Gene expression profiles in auricle skin as a possible additional endpoint for determination of sensitizers: A multi-endpoint evaluation of the local lymph node assay.

Journal: Toxicology letters 20171005

Title: Exocrine pancreatic carcinogenesis and autotaxin expression.

Journal: PloS one 20120101

Title: Biological monitoring as a valid tool to assess occupational exposure to mixtures of 2,4-:2,6-toluene diisocyanate.

Journal: La Medicina del lavoro 20120101

Title: Production, characterization and utility of a panel of monoclonal antibodies for the detection of toluene diisocyanate haptenated proteins.

Journal: Journal of immunological methods 20111028

Title: Determination of the toluene diisocyanate binding sites on human serum albumin by tandem mass spectrometry.

Journal: Analytical biochemistry 20110715

Title: Elimination kinetics of diisocyanates after specific inhalative challenges in humans: mass spectrometry analysis, as a basis for biomonitoring strategies.

Journal: Journal of occupational medicine and toxicology (London, England) 20110101

Title: Dermal uptake and excretion of 14C-toluene diisocyante (TDI) and 14C-methylene diphenyl diisocyanate (MDI) in male rats. Clinical signs and histopathology following dermal exposure of male rats to TDI.

Journal: Toxicology letters 20101215

Title: Early onset of neurological symptoms in fragile X premutation carriers exposed to neurotoxins.

Journal: Neurotoxicology 20100801

Title: A new general pathway for synthesis of reference compounds of N-terminal valine-isocyanate adducts.

Journal: Chemical research in toxicology 20100315

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

Journal: Pharmacogenetics and genomics 20100201

Title: Removal of parabens from aqueous solution using β-cyclodextrin cross-linked polymer.

Journal: International journal of molecular sciences 20100101

Title: Quantum chemistry studies of far-infrared spectra of aromatic urethanes.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081101

Title: Active single-drop microextraction for the determination of gaseous diisocyanates.

Journal: Journal of chromatography. A 20080328

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

Journal: Journal of applied toxicology : JAT 20080301

Title: Skin exposure to isocyanates: reasons for concern.

Journal: Environmental health perspectives 20070301

Title: Determination of airborne isocyanates generated during the thermal degradation of car paint in body repair shops.

Journal: The Annals of occupational hygiene 20060601

Title: Upper reference limits for biomarkers of exposure to aromatic diisocyanates.

Journal: International archives of occupational and environmental health 20050801

Title: DNA strand breaks in the lymphocytes of workers exposed to diisocyanates: indications of individual differences in susceptibility after low-dose and short-term exposure.

Journal: Archives of toxicology 20050601

Title: Quantitative determination of hexamethylene diisocyanate (HDI), 2,4-toluene diisocyanate (2,4-TDI) and 2,6-toluene diisocyanate (2,6-TDI) monomers at ppt levels in air by alkaline adduct coordination ionspray tandem mass spectrometry.

Journal: Journal of environmental monitoring : JEM 20050201

Title: Ferrocenoyl piperazide as derivatizing agent for the analysis of isocyanates and related compounds using liquid chromatography/electrochemistry/mass spectrometry (LC/EC/MS).

Journal: Journal of the American Society for Mass Spectrometry 20041201

Title: Determination of isocyanates in air using 1-(2-methoxyphenyl)piperazine-impregnated filters: long-term sampling performance and field comparison with impingers with dibutylamine.

Journal: The Annals of occupational hygiene 20040701

Title: MMNTP-a new tailor-made modular derivatization agent for the selective determination of isocyanates and diisocyanates.

Journal: The Analyst 20040401

Title: Determination of unreacted 2,4-toluene diisocyanate (2,4TDI) and 2,6-toluene diisocyanate (2,6TDI) in foams at ultratrace level by using HPLC-CIS-MS-MS.

Journal: The Analyst 20031201

Title: Development, validation and characterization of an analytical method for the quantification of hydrolysable urinary metabolites and plasma protein adducts of 2,4- and 2,6-toluene diisocyanate, 1,5-naphthalene diisocyanate and 4,4'-methylenediphenyl diisocyanate.

Journal: Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20030101

Title: Role of tumor necrosis factor in toluene diisocyanate asthma.

Journal: American journal of respiratory cell and molecular biology 20021001

Title: Exposure and nasal inflammation in workers heating polyurethane.

Journal: International archives of occupational and environmental health 20020901

Title: LC-MS determination of urinary toluenediamine in workers exposed to toluenediisocyanate.

Journal: Toxicology letters 20020805

Title: Organic analysis by ion chromatography. 1. Determination of aromatic amines and aromatic diisocyanates by cation-exchange chromatography with amperometric detection.

Journal: Journal of chromatography. A 20020517

Title: Identification of mammary carcinogens in rodent bioassays.

Journal: Environmental and molecular mutagenesis 20020101

Title: Exposure to 2,4- and 2,6-toluene diisocyanate (TDI) during production of flexible foam: determination of airborne TDI and urinary 2,4- and 2,6-toluenediamine (TDA).

Journal: The Analyst 20010701

Title: Azo-containing urethane analogues for colonic drug delivery: synthesis, characterization and in-vitro evaluation.

Journal: The Journal of pharmacy and pharmacology 20010601

Title: A comparative respiratory sensitization study of 2,4- and 2,6-toluene diisocyanate using guinea pigs.

Journal: Inhalation toxicology 20000701

Title: Toluene diisocyanate enhances substance P in sensory neurons innervating the nasal mucosa.

Journal: American journal of respiratory and critical care medicine 20000201

Title: Albumin adducts in plasma from workers exposed to toluene diisocyanate.

Journal: The Analyst 19970201

Title: In vivo and in vitro reactions of toluene diisocyanate isomers with guinea pig hemoglobin.

Journal: Chemical research in toxicology 19960101

Title: Sputum eosinophilia after asthmatic responses induced by isocyanates in sensitized subjects.

Journal: Clinical and experimental allergy : journal of the British Society for Allergy and Clinical Immunology 19940101

Title: An asthma model developed in the guinea pig by intranasal application of 2,4-toluene diisocyanate.

Journal: International archives of allergy and immunology 19930101

Title: Experimental study on respiratory sensitivity to inhaled toluene diisocyanate.

Journal: Archives of toxicology 19930101

Title: Bronchial epithelial cells exposed to isocyanates potentiate activation and proliferation of T-cells.

Journal: The American journal of physiology 19901001

Title: Toluene diisocyanate respiratory reactions. I. Reassessment of the problem.

Journal: International archives of allergy and applied immunology 19870101

Title: Specific IgE antibodies in twenty-eight workers with diisocyanate-induced bronchial asthma.

Journal: Clinical allergy 19840901

Title: Follow-up study of patients with respiratory disease due to toluene diisocyanate (TDI).

Journal: Clinical allergy 19840901

Title: Immunologic cross-reactivity between different albumin-bound isocyanates.

Journal: The Journal of allergy and clinical immunology 19830201

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