1,6-Diisocyanatohexane supplier

Name
Hexamethylene Diisocyanate
EINECS 212-485-8
CAS No. 822-06-0
Article Data107
CAS DataBase
Density 1.01 g/cm³
Solubility reacts with water
Melting Point -55 °C
Formula C₈H₁₂N₂O₂
Boiling Point 255 °C at 760 mmHg
Molecular Weight 168.195
Flash Point 140 °C
Transport Information UN 2281 6.1/PG 2
Appearance colourless liquid
Safety 26-28-38-45-28A
Risk Codes 23-36/37/38-42/43
Molecular Structure
Hazard Symbols T
Synonyms Isocyanicacid, hexamethylene ester (6CI,8CI);1,6-Hexamethyldiisocyanate;1,6-Hexamethylene diisocyanate;1,6-Hexanediisocyanate;1,6-Hexylene diisocyanate;GMDI;HDI;HMDI;Hexamethylene diisocyanate;Hexamethylene diisocyanate-acrylonitrile copolymer;Hexane 1,6-diisocyanate;NSC 11687;1,6-Diisocyanatohexane;
PSA 58.86000
LogP 1.21840

Synthetic route

: 4223-31-8
N,N′-hexanediyl bis-carbamic acid diphenyl ester

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
at 150℃; Pyrolysis;	99.8%
at 220℃; under 97.5098 Torr; Product distribution / selectivity; Industry scale;	97%
at 100 - 150℃; under 11.2511 - 60.006 Torr; for 240h; Product distribution / selectivity;	97%

: 124-09-4
1,6-Hexanediamine

: 103-71-9
phenyl isocyanate

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With phosgene In chlorobenzene at 10 - 130℃; for 4 - 5h; Solvent;	99.6%

: N,N’-hexanediyl-di((4-tert-octylphenyl)carbamate)

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
at 280℃; under 7.50075 Torr;	98%

: 6030-54-2
1,6-bis(methoxycarbonylamino)hexane

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With dibutyltin dilaurate; 3-(3-methyl-1H-imidazol-3-ium-1-yl)propane-1-sulfonate at 240℃; under 20 Torr; for 2h; Temperature; Reagent/catalyst; Pressure;	97.4%
With dibutyltin dilaurate In butan-1-ol at 120 - 240℃; under 20 Torr; Solvent; Temperature; Flow reactor;	92.2%
With antimony(III) trioxide; vanadium(V) oxide; titanium(IV) oxide at 250℃; under 20 Torr; Temperature;	83.9%

: 124-09-4
1,6-Hexanediamine

: 75-44-5
phosgene

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
In chlorobenzene at 185℃; under 30003 Torr;	97%
Stage #1: 1,6-Hexanediamine With hydrogenchloride In chlorobenzene at 40℃; under 1500.15 Torr; for 2h; Flow reactor; Large scale; Stage #2: phosgene In chlorobenzene at 130℃; under 1500.15 Torr; for 4h; Flow reactor; Large scale;	96.5%
In chlorobenzene at 97 - 160℃; under 4500.45 - 23252.3 Torr; for 7.5h;	95%

: 124-09-4
1,6-Hexanediamine

: 32315-10-9
bis(trichloromethyl) carbonate

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With triethylamine at 0 - 10℃; for 1.83333h; Inert atmosphere;	96%
With triethylamine at 0 - 20℃; for 1.5h; Inert atmosphere;	96%

: 4223-31-8
N,N′-hexanediyl bis-carbamic acid diphenyl ester

A: 102-09-0
bis(phenyl) carbonate

B: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
at 150℃; under 11.2511 - 112.511 Torr;	A n/a B 95.3%

: 75-44-5
phosgene

: 6055-52-3
hexane-1,6-diamine dihydrochloride

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
Stage #1: phosgene; hexane-1,6-diamine dihydrochloride With N-benzyl-N,N,N-triethylammonium chloride In 5,5-dimethyl-1,3-cyclohexadiene at 95 - 140℃; for 5h; Stage #2: With triethylamine	95%

: 6030-54-2
1,6-bis(methoxycarbonylamino)hexane

A: 13590-53-9
1-isocyanato-6-methoxycarbonylaminohexane

B: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With dibutyltin dilaurate; 3-(3-methyl-1H-imidazol-3-ium-1-yl)propane-1-sulfonate at 240℃; under 20 Torr; for 2h; Temperature; Reagent/catalyst; Pressure;	A 5.2% B 94.1%
With zinc diacetate In nitrobenzene at 160℃; for 1h; Catalytic behavior; Mechanism; Reagent/catalyst; Solvent; Time; Temperature;	A 41 %Chromat. B 17 %Chromat.
With Zn-2Co/ZSM-5 In chlorobenzene at 230℃; under 5100.51 Torr; for 3h; Reagent/catalyst; Inert atmosphere;

: 40777-33-1
hexane-1,6-diyl dicarbamate

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
In chlorobenzene at 140 - 210℃; under 5250.53 Torr; for 1h; Inert atmosphere; Green chemistry;	93.6%

: 124-09-4
1,6-Hexanediamine

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
	92.8%
With CO2; biphenyl; triethylamine In carbon dioxide; m-xylene; acetonitrile
Multi-step reaction with 2 steps 1: phenol / 50 °C / Industry scale 2: 150 °C / 11.25 - 112.51 Torr View Scheme

: 16644-34-1
N,N'-hexanediyl-bis-carbamic acid bis(3-methylbutyl) ester

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With isocyanurate In 1,2-dichloro-benzene at 200 - 250℃; for 200h; Temperature; Reagent/catalyst;	91%
With 2,4-di-tert-amylphenol; dibutyltin dilaurate at 200℃; under 9.75098 Torr; Product distribution / selectivity;
With dibutyltin dilaurate at 270℃; under 97.5098 Torr; Product distribution / selectivity; Industry scale;
dibutyltin dilaurate at 160 - 270℃; under 97.5098 Torr;

: 61578-93-6
N,N'-hexanediyl bis-(thiocarbamic acid (S-phenyl) ester)

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With thiophenol at 290℃; under 15.0015 Torr; Industrial scale;	91%

: 2188-09-2
1,6-hexamethylene diurea

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
at 380℃; Industry scale;	89%
Multi-step reaction with 2 steps 1: 240 °C / 195.02 Torr / Industry scale 2: 220 °C / 9.75 Torr / Industry scale View Scheme
Multi-step reaction with 2 steps 1: 210 °C / 300.03 Torr / Industry scale 2: 190 °C / 7.5 Torr / Industry scale View Scheme

: 1266554-70-4
N,N'-hexanediyldicarbamic acid di(4-(1,1,3,3-tetramethylbutyl)phenyl) ester

A: 140-66-9
tert-octylphenol

B: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
at 220℃; under 9.75098 Torr; Large scale;	A n/a B 83%

: 124-09-4
1,6-Hexanediamine

: 98-13-5
Phenyltrichlorosilane

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With chloro-trimethyl-silane; carbon dioxide; triethylamine In tetrahydrofuran	80%

: 592-74-5
hexamethylenedicarbamayl fluoride

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
at 160℃; for 0.5h; Glovebox;	77%

: 505-48-6
octane-1,8-dioic acid

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In tetrahydrofuran for 6h; Heating;	76.1%

: 4223-31-8
N,N′-hexanediyl bis-carbamic acid diphenyl ester

A: 822-06-0
Hexamethylene diisocyanate

B: 108-95-2
phenol

Conditions

Conditions	Yield
In diphenylether at 240℃; for 2h; Inert atmosphere;	A 76% B n/a

: 124-09-4
1,6-Hexanediamine

: 503-38-8
trichloromethyl chloroformate

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In dichloromethane at 0℃;	73%
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In dichloromethane at 0℃; for 0.166667h; Inert atmosphere;	60%

: 102-09-0
bis(phenyl) carbonate

: 124-09-4
1,6-Hexanediamine

A: 822-06-0
Hexamethylene diisocyanate

B: 108-95-2
phenol

Conditions

Conditions	Yield
In diphenylether at 20 - 240℃; for 3h; Inert atmosphere;	A 70% B n/a
Multi-step reaction with 2 steps 1: monoethylene glycol diethyl ether / 2 h / 20 °C / Inert atmosphere 2: diphenylether / 2 h / 240 °C / Inert atmosphere View Scheme

...Expand

: 384812-59-3
C14H20F8N2O4

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
at 200℃; under 7.05071 Torr; for 14h;	64%

: 10027-07-3
suberoyl chloride

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
Stage #1: suberoyl chloride With sodium azide In water; acetone Stage #2: In cyclohexane Curtius Rearrangement; Heating; Further stages.;	55%

: 60-29-7
diethyl ether

: octanedioyl azide

: 822-06-0
Hexamethylene diisocyanate

: 124-09-4
1,6-Hexanediamine

: 124-38-9
carbon dioxide

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With triethylamine; trichlorophosphate 1.) acetonitrile, 1 atm., 2.) acetonitrile; Yield given. Multistep reaction;
With 1,2-dichloro-benzene at 40 - 70℃; anschl. mit Phosgen, anfangs bei -5grad, zuletzt bei 70-150grad;

: 75-44-5
phosgene

hexamethylenediamine dihydrochloride: hexamethylenediamine dihydrochloride

A: 13654-91-6
1-chloro-6-isocyanato-hexane

B: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With 1,2-dichloro-benzene at 190 - 195℃;
With tetralin at 180 - 185℃;

...Expand

: 75-44-5
phosgene

1.6-diamino-hexane dihydrochloride: 1.6-diamino-hexane dihydrochloride

A: 13654-91-6
1-chloro-6-isocyanato-hexane

B: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
With 1,2-dichloro-benzene at 190 - 195℃;

...Expand

: 6030-54-2
1,6-bis(methoxycarbonylamino)hexane

A monoisocyanate: monoisocyanate

B: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
	A 12.6 g (74.9%) B n/a

: 1027096-12-3
N,N'-hexanediyl-bis-carbamic acid di(2,4-di-tert-butylphenyl) ester

: 822-06-0
Hexamethylene diisocyanate

Conditions

Conditions	Yield
at 200℃; under 9.75098 Torr; for 13h; Product distribution / selectivity;

: 253686-88-3
(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol

: 822-06-0
Hexamethylene diisocyanate

: phytyl N-(6-isocyanatohexyl)carbamate

Conditions

Conditions	Yield
With pyridine In toluene at 60℃; for 96h; Addition;	100%

: 1073560-59-4
C2HF3O2*C42H44N6O4S

: 822-06-0
Hexamethylene diisocyanate

: 1073560-61-8
C92H100N14O10S2

Conditions

Conditions	Yield
Stage #1: C2HF3O2*C42H44N6O4S; Hexamethylene diisocyanate With diisopropylamine In dichloromethane at 20℃; for 4h; Stage #2: With dmap In dichloromethane for 0.5h; Stage #3: Hexamethylene diisocyanate With diisopropylamine more than 3 stages;	100%

: 1122-47-0
1-MeCyt

: 822-06-0
Hexamethylene diisocyanate

: 1258960-79-0
1-(6-isocyanatohexyl)-3-(1-methyl-2-oxo-1,2-dihydropyrimidin-4-yl) urea

Conditions

Conditions	Yield
In dichloromethane at 40℃; for 72h; Inert atmosphere;	100%

: 67-56-1
methanol

: 822-06-0
Hexamethylene diisocyanate

: 6030-54-2
1,6-bis(methoxycarbonylamino)hexane

Conditions

Conditions	Yield
at 35℃; for 12h;	99%

: 868-77-9
2-methyl-2-propenoic acid 2-hydroxyethyl ester

: 822-06-0
Hexamethylene diisocyanate

: 34100-36-2
4,13-dioxo-3,14 dioxa-5,12-diazahexadecane-1,16-diol dimethacrylate

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate In N,N-dimethyl-formamide at 20℃; for 3h;	99%
In benzene
With 2,6-di-tert-butyl-4-methyl-phenol; dibutyltin dilaurate In dichloromethane at 50℃; for 18h;

: 66183-71-9
ethyl 2-oxopyrrolidine-5-carboxylate

: 822-06-0
Hexamethylene diisocyanate

: 1032741-00-6
ethyl 1-({[6-({[2-(ethoxycarbonyl)-5-oxopyrrolidin-1-yl]-carbonyl}amino)hexyl]amino}carbonyl)-5-oxopyrrolidine-2-carboxylate

Conditions

Conditions	Yield
With sodium hydride In diethyl ether at 20℃; for 1h;	99%
With sodium hydride In diethyl ether at 20℃; for 2h;	93%

: 107428-05-7
dimethyl 2,2-di(but-2-yn-1-yl)malonate

: 822-06-0
Hexamethylene diisocyanate

: 1352800-48-6
tetramethyl 1,1',4,4'-tetramethyl-3,3'-dioxo-2,2'-hexamethylenebis(5H-2,3,6,7-tetrahydrocyclopenta[c]pyridine-6,6-dicarboxylate)

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl In 1,2-Dichloropropane for 1h; Reflux;	99%

: 6I-amino-6II-VII-hexaazido-6I-VII-heptakis(6-deoxy-2,3-di-O-hexyl)cyclomaltoheptaose

: 822-06-0
Hexamethylene diisocyanate

6I,6I-(hexane-1,6-diyl)bis[6II-VII-hexaazido-6I-VII-deoxy-(2,3-di-O-hexyl)cyclomaltoheptaos-6I-ylurea]: 6I,6I-(hexane-1,6-diyl)bis[6II-VII-hexaazido-6I-VII-deoxy-(2,3-di-O-hexyl)cyclomaltoheptaos-6I-ylurea]

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere;	99%

: 5405-41-4
ethyl 3-hydroxybutyrate

: 822-06-0
Hexamethylene diisocyanate

: C20H36N2O8

Conditions

Conditions	Yield
With dibutyltin dilaurate at 40℃; for 24h; Inert atmosphere;	98.8%

: 57-14-7
1,1-dimethylhydrazine

: 822-06-0
Hexamethylene diisocyanate

: 69938-76-7
C12H28N6O2

Conditions

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

: 95-10-3, 3211-86-7, 3211-93-6, 118025-87-9, 118025-88-0, 118025-89-1, 118025-90-4, 118025-91-5, 118070-12-5
2-aminomethylbicyclo[2.2.1]hept-5-ene

: 822-06-0
Hexamethylene diisocyanate

: 1-Bicyclo[2.2.1]hept-5-en-2-ylmethyl-3-[6-(3-bicyclo[2.2.1]hept-5-en-2-ylmethyl-ureido)-hexyl]-urea

Conditions

Conditions	Yield
In benzene	98%

: 183959-05-9
4-hydroxy-1-((2'-hydroxy-1'-phenylethyl)oxy)-2,2,6,6-tetramethylpiperidine

: 822-06-0
Hexamethylene diisocyanate

polyurethane, Mn: 2700, Mw/Mn: 1.58; monomer(s): 4-hydroxy-2,2,6,6-tetramethyl-1-(2-hydroxy-1-phenylethoxy)piperidine; hexamethylene diisocyanate: polyurethane, Mn: 2700, Mw/Mn: 1.58; monomer(s): 4-hydroxy-2,2,6,6-tetramethyl-1-(2-hydroxy-1-phenylethoxy)piperidine; hexamethylene diisocyanate

Conditions

Conditions	Yield
dibutyltin(II) dilaurate In N,N-dimethyl-formamide at 20℃; for 0.5h;	98%

: 3977-29-5
6-methylisocytosine

: 822-06-0
Hexamethylene diisocyanate

: 320393-85-9
2-(6-isocyanatohexylaminocarbonylamino)-6-methyl-4-pyrimidinone

Conditions

Conditions	Yield
at 100℃; for 16h;	98%
at 100℃; for 24h;	97%
at 100℃; for 24h; Inert atmosphere;	95%

: 3977-29-5
2-amino-6-methylpyrimidin-4-ol

: 822-06-0
Hexamethylene diisocyanate

: 320393-85-9
2-(6-isocyanato-hexylaminocarbonylamino)-6-methyl-4(1H)-pyrimidinone

Conditions

Conditions	Yield
at 100℃; for 16h;	98%
at 100℃; for 12h; Inert atmosphere;	90%

: 1,5-diamino-1,5-dideoxy-2,3,4-tri-O-benzyl-L-arabinitol

: 822-06-0
Hexamethylene diisocyanate

polymer, Mw 4100, Mn 3800; monomer(s): 1,6-diamino-1,6-dideoxy-2,3,4-tri-O-benzyl-L-arabinitol; 1,6-hexamethylene diisocyanate: polymer, Mw 4100, Mn 3800; monomer(s): 1,6-diamino-1,6-dideoxy-2,3,4-tri-O-benzyl-L-arabinitol; 1,6-hexamethylene diisocyanate

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate In N,N-dimethyl acetamide at 20℃; for 0.5h;	98%

: 76001-38-2
3-(2-pyridylamino)-7-methoxymethyl-3-borabicyclo[3.3.1]non-6-ene

: 822-06-0
Hexamethylene diisocyanate

: 76009-48-8
(N,N'-hexamethylenyl-1,6)-di-[7-methoxymethyl-3-borabicyclo[3.3.1]non-6-en-3-yl]-(N-carbamoylpyridon-2-iminate)

Conditions

Conditions	Yield
In hexane byproducts: C3H6; (Ar); mixed at 20°C, reacted for 10 h; pptd., ppt. filtrated, dried (vac.), elem. anal., IR, NMR,;	98%

: 1234564-83-0
N-(7-amino-1,8-naphthyridin-2-yl)-2-ethylhexanamide

: 822-06-0
Hexamethylene diisocyanate

: 1431930-91-4
2-ethyl-N-(7-(3-(6-isocyanatohexyl)ureido)-1,8-naphthyridin-2-yl)hexanamide

Conditions

Conditions	Yield
With triethylamine at 20℃; for 24h; Schlenk technique; Inert atmosphere;	98%

: 18-amino-8,11,13-abietatriene

: 822-06-0
Hexamethylene diisocyanate

: 1448805-64-8
1,1'-(hexane-1,6-diyl)bis(3-{[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methyl}urea)

Conditions

Conditions	Yield
In ethanol Cooling;	98%

: 768-94-5
1-Adamantanamine

: 822-06-0
Hexamethylene diisocyanate

: 1,1'-(hexane-1,6-diyl)bis[3-(adamantan-1-yl)urea]

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 15 - 25℃; for 6h;	98%

: 13392-28-4, 117857-51-9, 117857-52-0, 129277-01-6
rimantadine

: 822-06-0
Hexamethylene diisocyanate

: 1,1'-(hexane-1,6-diyl)bis{3-[1-(adamantan-1-yl)ethyl]urea}

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 15 - 25℃; for 6h;	98%

: 543-24-8
N-acetylglycine

: 822-06-0
Hexamethylene diisocyanate

: 2-Acetylamino-N-[6-(2-acetylamino-acetylamino)-hexyl]-acetamide

Conditions

Conditions	Yield
With triethylamine In chloroform; toluene for 2h; Reflux;	98%

: 822-06-0
Hexamethylene diisocyanate

: 35161-65-0
hexanediyldiformamide

Conditions

Conditions	Yield
With hydrogen; triethylamine; palladium on activated charcoal for 0.25h;	97%

: 779989-20-7
1-(adamantan-1-yl)-2-aminobutane

: 822-06-0
Hexamethylene diisocyanate

: 1,1'-(hexane-1,6-diyl)bis{3-[1-(adamantan-1-yl)butane-2-yl]urea}

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 15 - 25℃; for 6h;	97%

: 21624-07-7
3-(adamantan-1-yloxy)propan-1-amine

: 822-06-0
Hexamethylene diisocyanate

: 1,1'-(hexane-1,6-diyl)bis{3-[3-(adamantan-1-yloxy)propyl]urea}

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 12h;	97%

: C11H23NO4

: 822-06-0
Hexamethylene diisocyanate

: C30H58N4O10

Conditions

Conditions	Yield
In toluene at 10 - 20℃;	96.8%

1,6-Diisocyanatohexane Consensus Reports

1,6-DIISOCYANATOHEXANE's reported in EPA TSCA Inventory.

1,6-Diisocyanatohexane Standards and Recommendations

ACGIH TLV: TWA 0.005 ppm
DFG MAK: 0.005 ppm (0.035 mg/m³)
NIOSH REL: (Diisocyanates) TWA 0.005 ppm; CL 0.02 ppm/10M
DOT Classification: 6.1; Label: Poison

1,6-Diisocyanatohexane Analytical Methods

For occupational chemical analysis use OSHA: #42.

1,6-Diisocyanatohexane Specification

The 1,6-Diisocyanatohexane , with cas registry number of 822-06-0, has other registry numbers including (1) 133394-59-9 ; (2) 243121-01-9 ; (3) 280144-19-6 ; (4) 53192-27-1 ; (5) 57350-77-3 ect. It belongs to the classification codes of Agricultural Chemical; Air Pollutants; Air Pollutants, occupational; Cross-Linking Reagents; Environmental Pollutants; Indicators and Reagents. Its systematic name and IUPAC name are the same which is called 1,6-diisocyanatohexane . This chemical has its several superlist names which are (1) HDI ; (2) Hexamethylene diisocyanate ; (3) Hexamethylene diisocyanate [UN2281] [Poison] ; (4) Hexamethylene diisocyanate, 1,6- ; (5) Hexamethylene-1,6-diisocyanate ; . It is a colorless crystalline solid.

Physical properties about 1,6-Diisocyanatohexane are:
(1)ACD/LogP: 3.447; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 245.36; (6)ACD/BCF (pH 7.4): 245.36; (7)ACD/KOC (pH 5.5): 1787.40; (8)ACD/KOC (pH 7.4): 1787.40; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.483; (13)Molar Refractivity: 47.225 cm3; (14)Molar Volume: 165.276 cm3; (15)Polarizability: 18.721 10-24cm3 ; (16)Surface Tension: 39.398998260498 dyne/cm; (17)Density: 1.018 g/cm3 ; (18)Flash Point: 140 °C; (19)Enthalpy of Vaporization: 49.245 kJ/mol; (20)Boiling Point: 254.999 °C at 760 mmHg; (21)Vapour Pressure: 0.017000000923872 mmHg at 25°C.

Preparation of 1,6-Diisocyanatohexane :
this chemical can be prepared by octanedioic acid .

This reaction needs reagent 1,8-bis (dimethylamino) naphthalene , solvent tetrahydrofuran and other condition like heating. The reaction time is 6 hours with yield of 76.1%.

Uses of 1,6-Diisocyanatohexane :
It mainly used to prepare other chemicals. Here is a example, it can react with 2-hydrazino-ethanol to give hexamethylenedi[2-(b-hydroxyethyl)-4-semicarbazide] .

This reaction is a kind of addition reaction. It occurs in solvent propan-2-ol at temperature of 10 ℃. The yield is about 89%.

Safety information of 1,6-Diisocyanatohexane :
When you are using this chemical, please be cautious about it as the following:Poison by inhalation and intravenous routes. Moderately toxic by ingestion and skin contact. Potentially explosive reaction with alcohols and base. When heated to decomposition it emits toxic fumes of NO_x.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C=N\CCCCCC/N=C=O;
(2)InChI:InChI=1/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2;
(3)InChIKey:RRAMGCGOFNQTLD-UHFFFAOYAI

The toxicity data of 1,6-Diisocyanatohexane is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	30mg/m³ (30mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 74, 1982.
mouse	LD50	intravenous	5600ug/kg (5.6mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07805,
mouse	LD50	oral	350mg/kg (350mg/kg)		Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.
rabbit	LD50	skin	570uL/kg (0.57mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat	LCLo	inhalation	60mg/m³/4H (60mg/m³)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 12(10), Pg. 40, 1968.
rat	LD50	oral	710uL/kg (0.71mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Product Name

Hexamethylene Diisocyanate

Synthetic route

1,6-Diisocyanatohexane Consensus Reports

1,6-Diisocyanatohexane Standards and Recommendations

1,6-Diisocyanatohexane Analytical Methods

1,6-Diisocyanatohexane Specification

Related Products

Hot Products