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Home > Encyclopedia > 2-METHYL-M-PHENYLENE DIISOCYANATE

2-METHYL-M-PHENYLENE DIISOCYANATE

2-METHYL-M-PHENYLENE DIISOCYANATE structure

2-METHYL-M-PHENYLENE DIISOCYANATE 

structure
  • CAS No:

    91-08-7

  • Formula:

    C9H6N2O2

  • Chemical Name:

    2-METHYL-M-PHENYLENE DIISOCYANATE

  • Synonyms:

    1,3-diisocyanato-2-methyl-benzen;1,3-Diisocyanato-2-methylbenzene;2,6-diisocyanato-1-methyl-benzen;2,6-Diisocyanato-1-methylbenzene;2,6-Toluenediiosocyanate;Isocyanic acid, 2-methyl-m-phenylene ester;isocyanicacid,2-methyl-meta-phenyleneester;isocyanicacid,2-methyl-m-phenyleneester

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

colourless liquid


ChEBI: A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring.


Liquid. Used in the manufacture of polyurethane foams, elastomers, and coatings; crosslinking agent for nylon 6.


Confirmed carcinogen. Poison by ingestion and inhalation. Human systemic effects by inhalation: olfactory, eye, and pulmonary changes. Flammable liquid. When heated to decomposition it emits toxic fumes of NOx. See also CYANATES.


It is purified by fractional distillation in a vacuum. Store it under N2 in sealed dark ampoules as it is water and light sensitive. Like the preceding 2,4-isomer, it has a sharp pungent odour, is TOXIC and is IRRITATING TO THE EYES. [Beilstein 13 IV 259.]

2-METHYL-M-PHENYLENE DIISOCYANATE Basic Attributes

174.16

174.16

2211546

202-039-0

TSCA listed

Clear colorless to light yellow

29291090

Characteristics

58.86000

1.92960

Clear colorless to light yellow Liquid

1.225 g/mL at 25 °C(lit.)

13°C

129-133 °C18 mm Hg(lit.)

>230 °F

n20/D1.571(lit.)

It hydrolyzes in water.

−20°C

2.78Pa at 25℃

Non flammable

Pungent

2-METHYL-M-PHENYLENE DIISOCYANATE reacts violently with amines, alcohols, bases and warm water, causing fire and explosion hazards. [Handling Chemcials Safely 1980. p. 907]. Reaction with water to form Carbon Dioxide [Merck 11th ed. 1989].

>1148 °F

−20°C

Safety Information

II

6.1

UN 2078 6.1/PG 2

2

T+

23-36/37-45-61

CZ6310000

T+

Stability Reacts violently with water. Reacts very rapidly with compounds containing an active hydrogen, such as amines, alcohols and acids. Polymerizes rapidly in the presence of base. Combustible. Incompatible with strong oxidizing agents.

P260-P280-P284-P304 + P340 + P310-P342 + P311-P403 + P233

26-36/37/38-40-42/43-52/53

UN 2078 6.1/PG 2

When heated to decomposition, 2-METHYL-M-PHENYLENE DIISOCYANATE emits toxic fumes of nitrogen oxides. Ventilation should be adequate. If polyurethane products are heated, protection against isocyanate release is necessary. Avoid decomposing heat.

Toxicity

ACGIH TLV-TWA:0.001 ppm (0.007 mg/m3),Inhalable fraction and vapor;TLV-STEL:0.005 ppm (0.035 mg/m3),Inhalable fraction and vapor

Drug Information

Classified as slightly toxic orally. Probable oral lethal dose in humans is 5 to 15 g/kg or between 1 pint and 1 quart for a 70 (l50 lb.) person. Particularly poisonous when breathed. This is among the most poisonous of isocyanates. Acute and chronic exposures to low concentrations may produce asthmatic attacks.

2-METHYL-M-PHENYLENE DIISOCYANATE Use and Manufacturing

2-Methyl-m-phenylene Diisocyanate is used in method for preparing breathable sweat-absorbing EVA foam shoe material.


2,6-TDI may be used as a reference standard for the quantification of residual 2,6-TDI in foam samples using high performance liquid chromatography coupled to coordination-ionspray tandem mass spectrometry (HPLC-CIS-MS/MS).

Computed Properties

Molecular Weight:174.16
XLogP3:3.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:174.042927438
Monoisotopic Mass:174.042927438
Topological Polar Surface Area:58.9
Heavy Atom Count:13
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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