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ChemicalBook--->CAS DataBase List--->101-68-8

101-68-8

101-68-8 Structure

101-68-8 Structure
IdentificationMore
[Name]

4,4'-Diphenylmethane diisocyanate
[CAS]

101-68-8
[Synonyms]

4,4'-DIISOCYANATODIPHENYLMETHANE
4,4'-DIPHENYLMETHANE DIISOCYANATE
4,4'-MDI
4,4'-METHYLENEBIS(PHENYL ISOCYANATE)
BIS(4-ISOCYANATOPHENYL)METHANE
DIPHENYLMETHAN-4,4'-DIISOCYANATE
DIPHENYLMETHANE-4,4'-DIISOCYANATE
DIPHENYLMETHANE DIISOCYANATE
Diphenyl methene-4,4′diisocyanate
MDI
METHYLENEBIS(P-PHENYL ISOCYANATE)
METHYLENEDIPHENYL 4,4'-DIISOCYANATE
METHYLENEDIPHENYLENE DIISOCYANATE
METHYLENEDI-P-PHENYL DIISOCYANATE
METHYLENE DI-P-PHENYLENE DIISOCYANATE
P,P'-DIPHENYLMETHANE DIISOCYANATE
VANCHEM HM-4346
VANCHEM HM-50
1,1’-methylenebis(4-isocyanato)-benzene
1,1’-methylenebis(4-isocyanato-benzen
[EINECS(EC#)]

202-966-0
[Molecular Formula]

C15H10N2O2
[MDL Number]

MFCD00036131
[Molecular Weight]

250.25
[MOL File]

101-68-8.mol
Chemical PropertiesBack Directory
[Appearance]

MDI is a white to light-yellow, odorless flakes. A liquid above 37C.
[Melting point ]

38-44 °C
[Boiling point ]

392 °C
[density ]

1.19
[vapor pressure ]

0.066 hPa (20 °C)
[refractive index ]

1.5906 (estimate)
[Fp ]

196 °C
[storage temp. ]

Refrigerator
[solubility ]

2g/l (decomposition)
[form ]

neat
[color ]

White to Almost white
[Specific Gravity]

1.180
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols.
[explosive limit]

0.4%(V)
[Water Solubility ]

decomposes
[FreezingPoint ]

37℃
[Sensitive ]

Moisture Sensitive/Lachrymatory
[BRN ]

797662
[Dielectric constant]

10.0(Ambient)
[Exposure limits]

TLV-TWA 0.051 mg/m3 (0.005 ppm) (ACGIH and NIOSH); ceiling (air) 0.204 mg/m3 (0.02 ppm)/10 min (NIOSH and OSHA); IDLH 102 mg/m3 (10 ppm).
[Contact allergens]

MDI is used in the manufacture of various polyurethane products: elastic and rigid foams, paints, lacquers, adhesives, binding agents, synthetic rubbers, and elastomeric fibers.
[CAS DataBase Reference]

101-68-8(CAS DataBase Reference)
[IARC]

3 (Vol. 19, Sup 7, 71) 1999
[NIST Chemistry Reference]

Benzene, 1,1'-methylenebis[4-isocyanato-(101-68-8)
[EPA Substance Registry System]

101-68-8(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow flakes or crystals
[Uses]

Diphenyl methane diisocyanate (MDI) is widely used in polyurethane coatings, this product is made of polyurethane foam used as a warm (cold), building materials, vehicle, ship parts; masterwork can made car Block, buffer, synthetic leather, non plastic polyurethane, polyurethane elastic fiber, no plastic elastic fibers, films, adhesives.
[Definition]

ChEBI: A diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4and 4'-positions.
[General Description]

Diphenylmethane-4,4-diisocyanate is a light yellow colored solid. DIPHENYLMETHANE-4,4'-DIISOCYANATE(101-68-8) is not soluble in water. DIPHENYLMETHANE-4,4'-DIISOCYANATE(101-68-8) may be toxic by ingestion, inhalation, or skin absorption. If in a solution DIPHENYLMETHANE-4,4'-DIISOCYANATE(101-68-8) may or may not burn depending on the nature of the material and/or the solvent. It's used to make plastics.
[Reactivity Profile]

Isocyanates and thioisocyanates, such as DIPHENYLMETHANE-4,4'-DIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
[Air & Water Reactions]

DIPHENYLMETHANE-4,4'-DIISOCYANATE is not soluble in water.
[Health Hazard]

Breathlessness, chest discomfort, and reduced pulmonary function.
[Potential Exposure]

MDI is used in the production of polyurethane foams and plastics; polyurethane coatings; elastomers, and thermoplastic resins.
[First aid]

Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.
[Shipping]

UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required
[Incompatibilities]

May form explosive mixture with air. Isocyanates are highly flammable and reactive with many compounds, even with themselves. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Reaction with moist air, water or alcohols may form amines and insoluble polyureas and react exothermically, releasing toxic, corrosive or flammable gases, including carbon dioxide; and, at the same time, may generate a violent release of heat increasing the concentration of fumes in the air. Incompatible with amines, aldehydes, alkali metals, ammonia, carboxylic acids, caprolactum, alkaline materials, glycols, ketones, mercaptans, hydrides, organotin catalysts, phenols, strong acids, strong bases, strong reducing agents such as hydrides, urethanes, ureas. Elevated temperatures or contact with acids, bases, tertiary amines, and acylchlorides may cause explosive polymerization. Attacks some plastics, rubber and coatings. May accumulate static electrical charges, and may cause ignition of its vapors. Unstable above 100F/38C. Polymerizes at temperatures above 204C. Contact with metals may evolve flammable hydrogen gas.
[Description]

4,4'-Diphenylmethane-diisocyanate (MDI) is used in the manufacture of various polyurethane products - elastic and rigid foams, paints, lacquers, adhesives, binding agents, synthetics rubbers, and elastomeric fibers.
[Waste Disposal]

Controlled incineration (oxides of nitrogen are removed from the effluent gas by scrubbers and/or thermal devices).
[Preparation]

Phosgene (800 g, 8 mol) (for a safe source) was dissolved in o-dichlorobenzene (2000 mL), and the resulting solution was cooled in an ice-salt bath. To the stirred solution, a hot solution of 4,4'-diaminodiphenylmethane (200 g, 1.01 mol) in o-dichlorobenzene (1000 mL) was slowly added through a heated dropping funnel. The rate of addition was regulated so that the temperature of the phosgene solution did not rise substantially above 0°C. The fine suspension that resulted was slowly heated and additional phosgene (700 g, 7.1 mol) was added at 130 °C until a clear solution appeared. After purging with carbon dioxide, the solvent was removed in vacuo and the product was purified by vacuum distillation. At 156–158 °C (0.1 mmHg), 215 g (0.85 mol, 84%) of 4,4’-diphenylmethane diisocyanate was obtained. Several procedures for the preparation of isocyanates with phosgene have been described. Nevertheless, many of them require the delivery of gaseous phosgene from an external source, such as a pressurized cylinder.
[Fire Hazard]

Noncombustible; flash point (open cup) 202°C (395°F). MDI reactions with strong oxidizers, acids, and bases can be vigorous.
[Flammability and Explosibility]

Nonflammable
[Environmental Fate]

Due to its low vapor pressure (0.000 62 Pa at 20 ℃), MDI partitioning to the atmosphere is limited; and vapors are rapidly eliminated by reaction with hydroxyl radicals (22 h half-life). Degradation by either direct photolysis or hydrolysis by water vapor to methylenedianiline (MDA) does not play a significant role in the atmospheric fate of MDI. In water, the isocyanate group of MDI can be rapidly hydrolyzed to an amine (<1 min half-life) that in turn reacts at a much faster rate with another isocyanate group to yield urea. Because MDI has two isocyanate groups, these reactions lead to cross-linked polyureas, which are inert, insoluble solids. Unless MDI is well dispersed in water, these processes result in the formation of a solid polyurea crust that encases the unreacted material, restricts both water ingress and amine egress, and leads to higher yields of polyurea. Under stirred aqueous conditions, the fraction of 4,4'-MDI converted to 4,4'-MDA is less than 1%; unstirred, the fraction is 0.005%. MDI released to soil will not exhibit significant transport to other environmental media due to the favored reaction with water to form inert polyureas and binding to the soil biomass. As expected, pMDI and the waterinsoluble oligo- and polyureas that form when pMDI enters an aqueous environment showed no biodegradation over 28 days in a guideline study.
[storage]

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with thischemical you should be trained on its proper handling andstorage. Store at temperatures indicated on labels, separatelyfrom acids, bases, amines, alcohols and ammonia, and withventilation along the floor. Since MDI will react with moisture in the air, the storage area should be a dry place, awayfrom all sources of fire or ignition.
[Toxicity evaluation]

The primary health concern with exposure to MDI is dermal and respiratory sensitization. Both are initiated by conjugation of MDI isocyanate groups with macromolecules at the point of contact, which forms a hapten that subsequently activates immunologic processes resulting in sensitization. Data in animals indicate dermal contact with MDI can lead to respiratory sensitization. However, the human relevance of these observations is unclear since there are no validated animal models that accurately reflect the respiratory sensitization process and responses seen in humans. The low incidence of pulmonary tumors observed in chronic inhalation studies at maximum tolerated concentrations of pMDI is most likely the result of nongenotoxic cell proliferation associated with chronic inflammation and/or hyperplasia rather than a direct effect on DNA.
Safety DataBack Directory
[Hazard Codes ]

Xn,T,C
[Risk Statements ]

R42/43:May cause sensitization by inhalation and skin contact .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20:Harmful by inhalation.
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

2206
[WGK Germany ]

1
[RTECS ]

NQ9350000
[Autoignition Temperature]

>600 °C
[Hazard Note ]

Toxic/Corrosive/Lachrymatory/Moisture Sensitive
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29291090
[Safety Profile]

Poison by inhalation. Mildly toxic by ingestion. Human systemic effects by inhalation: increased immune response and body temperature. A skin and eye irritant. An allergic sensitizer. Questionable carcinogen. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx and SOx.
[Hazardous Substances Data]

101-68-8(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 9000 mg/kg
[IDLA]

75 mg/m3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Nitric acid-->Chlorine-->Formaldehyde-->Aniline-->CARBON MONOXIDE
[Preparation Products]

Polyurethane-->TRIPHENYLTIN HYDRIDE-->2-BIPHENYLYL ISOCYANATE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,1'-Methylenebis(4-isocyanatobenzene)(101-68-8).msds
Spectrum DetailBack Directory
[Spectrum Detail]

4,4'-Diphenylmethane diisocyanate(101-68-8)MS
4,4'-Diphenylmethane diisocyanate(101-68-8)1HNMR
4,4'-Diphenylmethane diisocyanate(101-68-8)13CNMR
4,4'-Diphenylmethane diisocyanate(101-68-8)IR1
4,4'-Diphenylmethane diisocyanate(101-68-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methylene di-p-phenyl diisocyanate, stabilized flakes (polymerizes easily), 99.50%(101-68-8)
[Alfa Aesar]

[Sigma Aldrich]

101-68-8(sigmaaldrich)
[TCI AMERICA]

Methylenediphenyl 4,4'-Diisocyanate,>97.0%(T)(101-68-8)
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