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Toluene 2,4-diisocyanate

Toluene 2,4-diisocyanate structure

CAS No:
584-84-9
Chemical Name:
Toluene 2,4-diisocyanate
Synonyms:
Benzene,2,4-diisocyanato-1-methyl-;Isocyanic acid,4-methyl-m-phenylene ester;2,4-Diisocyanato-1-methylbenzene;2,4-Tolylene diisocyanate;2,4-Toluylene diisocyanate;2,4-Diisocyanatotoluene;Toluene 2,4-diisocyanate;2,4-Toluene diisocyanate;4-Methyl-m-phenylene isocyanate;4-Methyl-m-phenylene diisocyanate;2,4-TDI;4-Methyl-1,3-phenylene diisocyanate;1,3-Diisocyanato-4-methylbenzene;NSC 4791;NSC 56759;TDI 100;TDI T 100;T 100;86-91-9;59539-76-3;856307-56-7;1260158-01-7;1358624-38-0
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

colourless to light yellow liquid Toluene diisocyanate exists in two isomeric forms (2,4-toluene diisocyanate and 2,6-toluene diisocyanate), which have similar properties and effects. Toluene diisocyanate is produced commercially as an 80:20 (2,4-toluene diisocyanate:2,6-toluene diisocyanate) mixture of the two isomers. At room temperature, the mixture is a clear, pale yellow liquid with a sharp, pungent odor. It should be stored under refrigeration, away from light and moisture in a tightly cl

Toluene 2,4-diisocyanate Basic Attributes

Molecular Weight：

174.16

Exact Mass：

174.16

BRN：

744602

EC Number：

209-544-5

HScode：

29291010

Characteristics

PSA：

58.9

XLogP3：

3.4

Appearance：

Colorless Liquid

Density：

1.2244 g/cm³ @ Temp: 20 °C

Melting Point：

19.5-21.5 °C

Boiling Point：

251 °C @ Press: 760 Torr

Flash Point：

250 °F

Refractive Index：

1.559

Water Solubility：

Solubility in water: reaction.Miscible with ether, acetone, benzene, carbontetrachloride and chlorobenzene.

Storage Conditions：

2-8°C

Vapor Pressure：

0.03 mm Hg ( 25 °C)

Vapor Density：

6 (vs air)

Toxicity：

Inhalation-Rat LC50: 98 mg/m3/4 hours; Inhalation-Mouse LC50: 70 mg/m3/ 4 hours

Flammability characteristics：

Open flame is flammable; high heat decomposes toxic nitrogen oxide gas

Explosive limit：

9.5%

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2078 6.1/PG 2

wgk germany：

hazard class code：

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

safety instructions：

23-36/37-45-61

RTECS Number：

CZ6300000

Marks：

T+

Storage features：

Storehouse ventilated at low temperature and dry; stored separately from oxidants, food additives, acids and bases

Explosive characteristics：

Explosive when mixed with air

Stability/Shelf Life：

Stable, but decomposes in the presence of moisture. Also heat and light sensitive. Readily polymerizes in contact with base. Reacts with compounds containing active hydrogen. Incompatible with strong oxidizing agents. Corrodes some copper and aluminium alloys.

Precautionary statement(s)：

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

Hazard Statements：

H315-H317-H319-H330-H334-H335-H351-H412

Toxicity

Toxicity class：

most toxic

Toluene 2,4-diisocyanate Use and Manufacturing

Methods of Manufacturing

Nitrification from toluene produces dinitrotoluene, which is then reduced to obtain toluene diamine. Toluenediamine reacts with phosgene to obtain TDI (mainly 2, 4-isomer).

Uses

In the manufacture of polyurethane foams and other elastomers.

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:265
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ammonium bicarbonate

Carbon dioxide

Ammonium nitrate

Potassium chloride

Hydrochloric acid

Sodium chloride

Ammonia

Oxalyl chloride

Downstream Products

Ammonium chloride

Calcium carbonate

Triethylamine, hydrochloride

Ammonia

2,4-Dichlorotoluene

Price Analysis

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