4,4'-Diphenylmethane diisocyanate supplier

Name
4,4'-Diphenylmethane diisocyanate
EINECS 202-966-0
CAS No. 101-68-8
Article Data57
CAS DataBase
Density 1.19 g/cm³
Solubility decomposes in water
Melting Point 38-44 °C
Formula C₁₅H₁₀N₂O₂
Boiling Point 373.4 °C at 760 mmHg
Molecular Weight 250.257
Flash Point 154 °C
Transport Information UN 2811
Appearance white to light yellow flakes or crystals
Safety 45-36/37-23
Risk Codes 42/43-36/37/38-20
Molecular Structure
Hazard Symbols Xn,T,C
Synonyms 4,4'-Methylenediphenyl diisocyanate;4,4'-Methylenediphenylene isocyanate;Bis(p-isocyanatophenyl)methane;Di-(4-isocyanatophenyl)methane;Diphenylmethane-4,4'-diisocyanate;Diphenylmethane diisocyanate;Diphenylmethyl diisocyanate;Isocyanic acid, diphenylmethylene ester;Methylenebis(phenyl isocyanate);Methylenebis-p-phenylene diisocyanate;Methylene bisphenyl diisocyanate;Methylenedi-p-phenylene diisocyanate;4，4`-diphenylmethane diisocyanate;4,4'-Diphenylmethane diisocyanate;
PSA 58.86000
LogP 3.21200

Synthetic route

: 4,4'-methylenediphenyl dicarbamate

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
With copper In para-xylene at 220℃; under 2625.26 Torr; for 2h; Reagent/catalyst; Pressure; Temperature; Solvent;	98.7%

: 7450-63-7
dimethyl 4,4'-methylenebis(1,4-phenylene)diurethane

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
With zinc diacetate; 1-((ethoxycarbonyl)methyl)-3-methylimidazolium tetrafluoroborate In neat (no solvent) at 25 - 230℃; for 0.25h; Catalytic behavior; Mechanism; Reagent/catalyst; Solvent; Inert atmosphere;	96%
N-trimethyl-butyltetrafluoroboric acid; zinc(II) oxide at 200 - 240℃; under 48.7549 Torr; for 2.66667h;	84%
With montmorillonite K-10 In decalin at 190℃; for 24h;	40%
With boron trichloride; triethylamine In benzene for 0.5h; Heating;	87 % Chromat.

: 32315-10-9
bis(trichloromethyl) carbonate

: 101-77-9
4,4'-diamino diphenyl methane

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
at 130℃; for 2h;	92%
In ethyl acetate for 4h; Heating;	90%

: 10097-16-2
(methylenedi-4,1-phenylene)bis-carbamic acid diethyl ester

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
With isocyanurate for 200h; Reflux;	92%
With boron trichloride; triethylamine In benzene for 0.5h; Heating;	93 % Chromat.

: 101-65-5
N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid diphenyl ester

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
With DURANATE TPA-100 In 1,2-dichloro-benzene at 250℃; under 6000.6 Torr; for 200h; Inert atmosphere;	86%
at 130 - 220℃; under 3.75038 - 450.045 Torr; for 240h; Product distribution / selectivity;	82.3%
at 230℃; under 9.75098 Torr; Product distribution / selectivity; Industry scale;

: 75-44-5
phosgene

: 101-77-9
4,4'-diamino diphenyl methane

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
With hydrogenchloride; N-benzyl-N,N,N-triethylammonium chloride In water; 1,2-dichloro-benzene at 40 - 160℃; for 5h; pH=2 - 3;	85.8%
With N,N-dimethyl-aniline; toluene
With 1,2-dichloro-benzene
In chlorobenzene at 90℃; under 7500.75 Torr; Inert atmosphere;

: 4,4'-methylenediphenylene biscarbamate

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
With benzoyl chloride In dodecane at 210℃; for 2.5h; Solvent;	85%

: 4,4'-methylenediphenyldicarbamayl fluoride

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
at 160℃; for 0.5h; Glovebox;	81%

: 47636-24-8
dibutyl diphenyl methane-4,4’-dicarbamate

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
tetrabutylphosphonium bis(trifluoromethanesulfonyl)imide at 180 - 240℃; under 48.7549 Torr; for 2.66667h;	79%

: 216142-79-9
C25H36N4O2

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In 1,2-dichloro-benzene at 185℃; under 760.051 Torr; for 1.5h; Product distribution / selectivity;	79%

: 75-44-5
phosgene

polyamines: polyamines

: 1208-52-2
2,4'-diaminodiphenylmethane

: 6582-52-1
2,2'-methylenedianiline

: 101-77-9
4,4'-diamino diphenyl methane

A polyisocyanates: polyisocyanates

B: 2536-05-2
4,4′-methylenebis(phenylisocyanate)

C: 5873-54-1
2,4'-diisocyanatodiphenylmethane

D: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In chlorobenzene at 0℃; Product distribution / selectivity;	A 35% B 0.2% C 5.5% D 44.1%

...Expand

: 75-44-5
phosgene

: 1767-02-8
4,4'-Di(trimethylsilylamino)-diphenylmethan

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In toluene

: 75-44-5
phosgene

: 57586-53-5
Dimethylsilanyl-{4-[4-(1,1,3,3-tetramethyl-disilazan-2-yl)-benzyl]-phenyl}-amine

: 101-68-8
di(4-isocyanatophenyl)methane

: 60483-67-2
N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid dipropyl ester

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
With boron trichloride; triethylamine In benzene for 0.5h; Heating;	88 % Chromat.

: C15H10N2O2*C8H9NO2

A: 2603-10-3
N-phenyl methyl carbamate

B: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 24.9℃; Equilibrium constant;

: C15H10N2O2*C9H11NO2

A: 5602-96-0
methyl p-tolylcarbamate

B: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 24.9℃; Equilibrium constant;

: C15H10N2O2*C10H13NO2

A: 122-42-9
carbamic acid, phenyl-, 1-methylethyl ester

B: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 24.9℃; Equilibrium constant;

: C15H10N2O2*C11H15NO2

A: 81517-97-7
methyl N-(2,4,6-trimethylphenyl)carbamate

B: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 24.9℃; Equilibrium constant;

: C15H10N2O2*C9H10ClNO3

A: 154244-57-2
methyl N-(4-chloro-3-metyhoxyphenyl)carbamate

B: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 24.9℃; Equilibrium constant;

: 75-44-5
phosgene

: 50-00-0
formaldehyd

A polymeric MDI; mixture of: polymeric MDI; mixture of

B: 2536-05-2
4,4′-methylenebis(phenylisocyanate)

C: 5873-54-1
2,4'-diisocyanatodiphenylmethane

D: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
Stage #1: formaldehyd; aniline; hydrogenchloride In water at 40 - 100℃; for 13h; Heating / reflux; Stage #2: phosgene In chlorobenzene at 100 - 210℃; for 2h; Product distribution / selectivity;

...Expand

: 7450-63-7
dimethyl 4,4'-methylenebis(1,4-phenylene)diurethane

A: 37144-79-9
[4-(4-Isocyanato-benzyl)-phenyl]-carbamic acid methyl ester

B: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
With montmorillonite K-10 In decalin at 190℃; for 5h;

: 101-77-9
4,4'-diamino diphenyl methane

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2SO4, (NH4)2SO4 2: toluene View Scheme

2,2'-diisocyanatodiphenylmethane; 2,4'-diisocyanatodiphenylmethane; 4,4'-diisocyanatodiphenylmethane; mixture of: 2,2'-diisocyanatodiphenylmethane; 2,4'-diisocyanatodiphenylmethane; 4,4'-diisocyanatodiphenylmethane; mixture of

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
Purification / work up;

: 75-44-5
phosgene

: 1208-52-2
2,4'-diaminodiphenylmethane

: 6582-52-1
2,2'-methylenedianiline

: 101-77-9
4,4'-diamino diphenyl methane

A: 2536-05-2
4,4′-methylenebis(phenylisocyanate)

B: 5873-54-1
2,4'-diisocyanatodiphenylmethane

C: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In chlorobenzene at 0℃; Product distribution / selectivity; Heating / reflux;
In chlorobenzene at 0℃; Product distribution / selectivity; Industry scale;

...Expand

: 1027096-23-6
N,N'-(4,4'-methanediyl-diphenyl)-biscarbamic acid bis(2,4-di-tert-amylphenyl) ester

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
at 210℃; under 0.750075 Torr; for 11h; Product distribution / selectivity;
at 260℃; under 11.2511 Torr; Industry scale;

: 102894-34-8
N,N'-(4,4'-methanediyl-di-phenyl)-bis-carbamic acid diisopentyl ester

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
With 2,4-di-tert-amylphenol; dibutyltin dilaurate at 220℃; under 9.75098 Torr; for 15h; Product distribution / selectivity;
With dibutyltin dilaurate at 270℃; under 9.75098 Torr; Industry scale;
dibutyltin dilaurate at 170 - 270℃; under 9.75098 Torr;

: 75-44-5
phosgene

: 6582-52-1
2,2'-methylenedianiline

: 101-77-9
4,4'-diamino diphenyl methane

A: 2536-05-2
4,4′-methylenebis(phenylisocyanate)

B: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In chlorobenzene Heating;

...Expand

: 62-53-3
aniline

: 101-68-8
di(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 4-t-amylphenol / 80 °C / Industry scale 2: 200 °C / 60.01 Torr / Industry scale 3: sulfuric acid / nitrobenzene / 10 h / 100 °C / Industry scale 4: 260 °C / 11.25 Torr / Industry scale View Scheme
Multi-step reaction with 4 steps 1: 4-t-amylphenol / 80 °C / Industry scale 2: 190 °C / 375.04 Torr / Industry scale 3: dibutyltin dilaurate / 250 °C / 375.04 Torr / Industry scale 4: 260 °C / 11.25 Torr / Industry scale View Scheme
Multi-step reaction with 4 steps 1: 4-t-amylphenol / 80 °C / Industry scale 2: 220 °C / 187.52 Torr / Industry scale 3: sulfuric acid / nitrobenzene / 15 h / 100 °C / Industry scale 4: 260 °C / 7.5 Torr / Industry scale View Scheme

: 67-56-1
methanol

: 101-68-8
di(4-isocyanatophenyl)methane

: 7450-63-7
dimethyl 4,4'-methylenebis(1,4-phenylene)diurethane

Conditions

Conditions	Yield
for 4h; Heating;	100%
for 3h;	96%

: 64-17-5
ethanol

: 101-68-8
di(4-isocyanatophenyl)methane

: 10097-16-2
(methylenedi-4,1-phenylene)bis-carbamic acid diethyl ester

Conditions

Conditions	Yield
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 1h; Inert atmosphere;	100%
In tetrahydrofuran at 20℃; for 2h;	94%

: 101-68-8
di(4-isocyanatophenyl)methane

: 75-65-0
tert-butyl alcohol

: 59255-81-1
O,O'-di-tert-butyl 4,4'-methylenebis(4,1-phenylene)dicarbamate

Conditions

Conditions	Yield
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 1h; Inert atmosphere;	100%
In toluene at 85℃; for 3h; Inert atmosphere;	96%
In toluene at 85℃; for 3h; Inert atmosphere;	96%

: 101-68-8
di(4-isocyanatophenyl)methane

: 71-36-3
butan-1-ol

: 47636-24-8
dibutyl diphenyl methane-4,4’-dicarbamate

Conditions

Conditions	Yield
for 4h; Heating;	100%
In tetrahydrofuran at 20℃; for 2h;	84%

: 102-81-8
N,N-dibutyl amino-2 ethanol

: 101-68-8
di(4-isocyanatophenyl)methane

: 939402-96-7
4,4'-methylenebis(phenyl-carbamic acid 2-[bis-butyl-amino]-ethyl ester)

Conditions

Conditions	Yield
In tetrahydrofuran for 12h; Heating / reflux;	99%

: 1380440-07-2
(4R,5R)-1,3-dioxolane-4,5-dicarbohydrazide

: 101-68-8
di(4-isocyanatophenyl)methane

: 1447810-13-0
(4R,5R,25R,26R)-tetra-(hydrazinecarboxamide)cyclophane

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h;	99%

: 1374018-88-8
(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarbohydrazide

: 101-68-8
di(4-isocyanatophenyl)methane

: 1447810-17-4
(4R,5R,25R,26R)-tetra-(hydrazinecarboxamide)cyclophane

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h;	99%

: 543-24-8
N-acetylglycine

: 101-68-8
di(4-isocyanatophenyl)methane

: C21H24N4O4

Conditions

Conditions	Yield
With triethylamine In chloroform; toluene for 2h; Reflux;	99%

: 101-68-8
di(4-isocyanatophenyl)methane

: 10016-36-1
diphenylmethane-4,4'-bis-carbamic acid chloride

Conditions

Conditions	Yield
With hydrogenchloride In chlorobenzene at 30℃;	99%

: 57-14-7
1,1-dimethylhydrazine

: 101-68-8
di(4-isocyanatophenyl)methane

: 85095-61-0
4,4'-bis(diimethylamino-urea)diphenylmethane

Conditions

Conditions	Yield
In benzene 0-5 deg C, then 1 h at 20-25 deg C;	98%

: 101-68-8
di(4-isocyanatophenyl)methane

: 209588-75-0
12-[4-(12-hydroxydodecyloxy)phenoxy]dodecan-1-ol

Polymer, Mw 107000; Monomer(s): 1,4-bis(12-hydroxydodecyloxy)benzene; 1,1-methylenebis[4-isocyanatobenzene]: Polymer, Mw 107000; Monomer(s): 1,4-bis(12-hydroxydodecyloxy)benzene; 1,1-methylenebis[4-isocyanatobenzene]

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 100℃; for 20h; Polymerization;	98%

: 101-68-8
di(4-isocyanatophenyl)methane

: 485-35-8
cytisine

: 1620659-65-5
N,N'-[methylene-bis(4,1-phenylene)]dicytisinecarboxamide

Conditions

Conditions	Yield
In benzene at 80℃;	98%

: 101-68-8
di(4-isocyanatophenyl)methane

: 4114-31-2
ethylhydrazine carboxylate

: diethyl 2,2'-[methylenebis(4,1-phenyleneiminocarbonyl)]dihydrazinecarboxylate

Conditions

Conditions	Yield
In toluene at 20 - 90℃; for 4h; Inert atmosphere;	98%
In toluene at 0℃; for 3.66667h; Inert atmosphere; Reflux;	96%

: 101-68-8
di(4-isocyanatophenyl)methane

: C15H12Br2N2O2

Conditions

Conditions	Yield
With hydrogen bromide In chlorobenzene at 30℃;	98%

: C2F5SO2N(CH3)CH2CH2OH

: 101-68-8
di(4-isocyanatophenyl)methane

: 856220-63-8
C20H18F5N3O5S

Conditions

Conditions	Yield
dibutyltin(II) dilaurate In n-heptane at 50℃; for 4.46667h;	97.2%

: 101-68-8
di(4-isocyanatophenyl)methane

: 154876-99-0
6-[4-(6-hydroxy-hexyloxy)-phenoxy]-hexan-1-ol

Polymer, Mw 59900; Monomer(s): 1,4-bis(6-hydroxyhexyloxy)benzene; 1,1-methylenebis[4-isocyanatobenzene]: Polymer, Mw 59900; Monomer(s): 1,4-bis(6-hydroxyhexyloxy)benzene; 1,1-methylenebis[4-isocyanatobenzene]

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 100℃; for 20h; Polymerization;	97%

: 34454-97-2
N-methyl-1,1,2,2,3,3,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulphonamide

: 101-68-8
di(4-isocyanatophenyl)methane

: 856220-61-6
C22H18F9N3O5S

Conditions

Conditions	Yield
dibutyltin(II) dilaurate In n-heptane at 45℃; for 2.53333h; Product distribution / selectivity;	97%
dibutyltin(II) dilaurate In n-heptane; toluene at 45℃; for 2.25 - 2.5h;
dibutyltin(II) dilaurate In toluene at 20 - 45℃; for 2.5h;
dibutyltin(II) dilaurate In HFE-7100 (C4F90CH3) at 45℃; for 2.5h;
dibutyltin(II) dilaurate In Petroleum ether at 45℃; for 2.5h;

: 111-86-4
n-Octylamine

: 101-68-8
di(4-isocyanatophenyl)methane

: 4,4'-bis(octylureido)diphenylmethane

Conditions

Conditions	Yield
Stage #1: n-Octylamine; di(4-isocyanatophenyl)methane In 1,4-dioxane at 40℃; for 2.5h; Stage #2: With sulfuric acid In 1,4-dioxane at 40℃; for 3.5h;	96.4%

: 38421-19-1
1,1-Dimethyl-2-trimethylsilanyloxy-ethylamine

: 101-68-8
di(4-isocyanatophenyl)methane

: 123717-12-4
(2-Isocyanato-2-methyl-propoxy)-trimethyl-silane

Conditions

Conditions	Yield
at 200℃;	96%

: 57-14-7
1,1-dimethylhydrazine

: 108-88-3
toluene

: 101-68-8
di(4-isocyanatophenyl)methane

: 4,4'-bis(diimethylamino-urea)diphenylmethane toluene complex

Conditions

Conditions	Yield
at 20℃; for 0.5h;	96%

...Expand

: 105-59-9
N-Methyldiethanolamine

: 1107-00-2
4,4'-(1,1,1,3,3,3-hexafluoroisopropylidene)diphthalic anhydride

: 101-68-8
di(4-isocyanatophenyl)methane

polymer, product of diol-diisocyanate condensation followed by polycondensation with dianhydride and heating; monomer(s): 4,4\-methylenebis(phenyl isocyanate); N-methyldiethanolamine; 4,4\-(hexafluoroisopropylidene)bis(phthalic anhydride): polymer, product of diol-diisocyanate condensation followed by polycondensation with dianhydride and heating; monomer(s): 4,4\-methylenebis(phenyl isocyanate); N-methyldiethanolamine; 4,4\-(hexafluoroisopropylidene)bis(phthalic anhydride)

Conditions

Conditions	Yield
Stage #1: N-Methyldiethanolamine; di(4-isocyanatophenyl)methane In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 4,4'-(1,1,1,3,3,3-hexafluoroisopropylidene)diphthalic anhydride In N,N-dimethyl-formamide at 60 - 80℃; Stage #3: for 15h; Heating; vacuum;	96%

...Expand

: 107-19-7
propargyl alcohol

: 101-68-8
di(4-isocyanatophenyl)methane

: 20723-73-3
C21H18N2O4

Conditions

Conditions	Yield
Stage #1: propargyl alcohol With dibutyltin dilaurate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: di(4-isocyanatophenyl)methane In N,N-dimethyl-formamide for 6h;	95%
With triethylamine In tetrahydrofuran at 20℃; for 24h; Solvent;	73%
In benzene
With propylene glycol methyl ether acetate at 50 - 60℃; for 5.83333h;

: 109-84-2
2-hydroxyethylhydrazine

: 101-68-8
di(4-isocyanatophenyl)methane

: 49805-23-4
p,p'-diphenylmethanedi[2-(β-hydroxyethyl)-4-semicarbazide]

Conditions

Conditions	Yield
In isopropyl alcohol at 10℃; Addition;	95%

: 5164-11-4
N,N-diallyl-hydrazine

: 101-68-8
di(4-isocyanatophenyl)methane

: 85095-62-1
C27H34N6O2

Conditions

Conditions	Yield
In benzene 0-5 deg C, then 1 h at 20-25 deg C;	95%

: 36309-42-9
4-(trimethylsilyloxy)aniline

: 101-68-8
di(4-isocyanatophenyl)methane

: 42003-65-6
4-<(trimethylsilyl)oxy>phenyl isocyanate

Conditions

Conditions	Yield
at 200℃;	95%

: 101-68-8
di(4-isocyanatophenyl)methane

: 12-[12-(12-hydroxy-dodecyloxy)-dodecyloxy]-dodecan-1-ol

Polymer, Mw 84400; Monomer(s): 13,26-dioxaoctatriacontane-1,38-diol; 1,1-methylenebis[4-isocyanatobenzene]: Polymer, Mw 84400; Monomer(s): 13,26-dioxaoctatriacontane-1,38-diol; 1,1-methylenebis[4-isocyanatobenzene]

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 100℃; for 20h; Polymerization;	95%

: 22751-68-4, 60508-97-6, 60509-62-8, 70749-06-3, 118628-68-5
(S,S)-N,N'-dimethyl-1,2-diphenylethane-1,2-diamine

: 101-68-8
di(4-isocyanatophenyl)methane

Polymer; Monomers: (1S,2S)-N,N\-dimethyl-1,2-diphenylethane-1,2-diamine; bis(4-isocyanatophenyl)methane: Polymer; Monomers: (1S,2S)-N,N\-dimethyl-1,2-diphenylethane-1,2-diamine; bis(4-isocyanatophenyl)methane

Conditions

Conditions	Yield
In dichloromethane at 20℃;	95%

: 39060-36-1, 31075-94-2
Cu(N4{14}(2-))

: 101-68-8
di(4-isocyanatophenyl)methane

: Cu*(C10N4H2(CH3)4H8C(O)NH(C6H4)CH2(C6H4)NHC(O))

Conditions

Conditions	Yield
In chloroform Kinetics; to soln. of Cu complex was added 4,4'-diphenylmethane diisocyanate, themixt. was stirred at 25°C for 48 h under N2; ppt. was filtered off, washed with benzene, chloroform, n-hexane, driedin vac., elem. anal.;	95%

4,4'-Diphenylmethane diisocyanate Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. Community Right-To-Know List.

4,4'-Diphenylmethane diisocyanate Standards and Recommendations

OSHA PEL: CL 0.02 ppm
ACGIH TLV: 0.005 ppm
DFG MAK: 0.05 mg/m³; Confirmed Animal Carcinogen with Unknown Relevance to Humans
NIOSH REL: (Diisocyanates) TWA 0.005 ppm; CL 0.02 ppm/10M
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD; DOT Class: 6.1; Label: Poison; DOT Class: 6.1; Label: Poison, Flammable Liquid; DOT Class: 3; Label: Flammable Liquid, Poison

4,4'-Diphenylmethane diisocyanate Analytical Methods

For occupational chemical analysis use OSHA: #18, superseded by #47.

4,4'-Diphenylmethane diisocyanate Specification

The 4,4'-Diphenylmethane diisocyanate, with the cas registry number 101-68-8, has the IUPAC name of 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene. Following are the basic information of this chemical: This chemical is a kind of white to light yellow flakes or crystals with strong irritating odour, and is not soluble in water while soluble in acetone, benzene, kerosene and nitrobenzene. Its product categories are various, including diphenylmethanes (for high-performance polymer research); functional materials; reagent for high-performance polymer research; alphabetic; m; meta - meth. Besides, it is sensitive and is incompatible with strong oxidizing agents. When store it, keep it in the dry, cool and well-ventilated storeroom, away from the containing water products, alcohol and amine products.

The characteristics of 4,4'-Diphenylmethane diisocyanate are as follows:
(1)ACD/LogP: 4.94; (2)ACD/LogD (pH 5.5): 4.93; (3)ACD/LogD (pH 7.4): 4.93; (4)ACD/BCF (pH 5.5): 3314.7; (5)ACD/BCF (pH 7.4): 3314.7; (6)ACD/KOC (pH 5.5): 11522.03; (7)ACD/KOC (pH 7.4): 11522.03; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 58.86 ; (11)Index of Refraction: 1.587; (12)Molar Refractivity: 74.38 cm³; (13)Molar Volume: 221 cm³; (14)Polarizability: 29.49 ×10^-24cm³; (15)Surface Tension: 45.6 dyne/cm; (16)Density: 1.13 g/cm³; (17)Flash Point: 154 °C; (18)Enthalpy of Vaporization: 62.06 kJ/mol; (19)Boiling Point: 373.4 °C at 760 mmHg; (20)Vapour Pressure: 9.02E-06 mmHg at 25°C; (21)Exact Mass: 250.074228; (22)MonoIsotopic Mass: 250.074228; (23)Topological Polar Surface Area: 58.9; (24)Heavy Atom Count: 19; (25)Complexity: 332.

Production method of 4,4'-Diphenylmethane diisocyanate is as below:
4,4'-methanediyl-bis-aniline could react with carbonic acid bis-trichloromethyl ester to produce bis-(4-isocyanato-phenyl)-methane, with the following condition: reaction time: 2 hours; reaction temp.: 130 ℃; yield: 92%.

Use of 4,4'-Diphenylmethane diisocyanate:
Methylene bisphenyl isocyanate could react with 2-trimethylsilanyloxy-ethylamine to produce 2-Trimethylsiloxyaethylisocyanat, with the following condition: reaction temp.: 200 ℃; yield: 84%.

As to its usage, it is widely used in many ways. It could be used in producing PU Elastomers, synthetic fibre, artificial leather, and solventless coatings; It could also be used as the adhesives in the rubber and plastic industry.

Safety information of 4,4'-Diphenylmethane diisocyanate:
While dealing with this chemical, you should be very cautious. It is irritating to eyes, respiratory system and skin, and may cause sensitisation by inhalation and skin contact; Besides being a kind of toxic chemical, it may at low levels cause damage to health; Then it may also destroy living tissue on contact for it is corrosive. Therefor, you should take the following instructions. Wear suitable protective clothing and gloves and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). If in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:O=C=N\c1ccc(cc1)Cc2ccc(\N=C=O)cc2
(2)InChI:InChI=1/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
(3)InChIKey:UPMLOUAZCHDJJD-UHFFFAOYAD

Below are the toxicity informatin of 4,4'-Diphenylmethane diisocyanate :

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TCLo	inhalation	130ppb/30M (0.13ppm)	IMMUNOLOGICAL INCLUDING ALLERGIC: INCREASED IMMUNE RESPONSE	American Industrial Hygiene Association Journal. Vol. 27, Pg. 121, 1966.
mouse	LD50	oral	2200mg/kg (2200mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 63, 1982.
rat	LC50	inhalation	178mg/m3 (178mg/m3)		American Industrial Hygiene Association Journal. Vol. 43, Pg. 89, 1982.
rat	LD50	oral	9200mg/kg (9200mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	National Technical Information Service. Vol. OTS0516728

Product Name

4,4'-Diphenylmethane diisocyanate

Synthetic route

4,4'-Diphenylmethane diisocyanate Consensus Reports

4,4'-Diphenylmethane diisocyanate Standards and Recommendations

4,4'-Diphenylmethane diisocyanate Analytical Methods

4,4'-Diphenylmethane diisocyanate Specification

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