Hexamethylene diisocyanate

Base Information Edit

Chemical Name:Hexamethylene diisocyanate
CAS No.:822-06-0
Deprecated CAS:133394-59-9,53192-27-1,57350-77-3,63525-90-6,66368-96-5,88357-62-4,243121-01-9,280144-19-6,824958-44-3,1196968-38-3,1199811-16-9,141504-21-4,1447694-90-7,1674389-30-0,1714093-54-5,1799418-17-9,1196968-38-3,1199811-16-9,1447694-90-7,243121-01-9,280144-19-6,57350-77-3,63525-90-6,66368-96-5,824958-44-3,88357-62-4
Molecular Formula:C8H12N2O2
Molecular Weight:168.195
Hs Code.:H2)6(NCO)2 MOL WT. 168.19
European Community (EC) Number:212-485-8
ICSC Number:0278
NSC Number:11687
UN Number:2281
UNII:0I70A3I1UF
DSSTox Substance ID:DTXSID4024143
Nikkaji Number:J13.123G
Wikipedia:Hexamethylene_diisocyanate
Wikidata:Q418197
Pharos Ligand ID:MMU45M5Z992Z
Metabolomics Workbench ID:58660
ChEMBL ID:CHEMBL1896533
Mol file:822-06-0.mol

Synonyms:1,6-diisocyanatohexane;1,6-hexamethylene diisocyanate;1,6-hexane diisocyanate;HDI cpd;hexamethylene diisocyanate

Suppliers and Price of Hexamethylene diisocyanate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Hexamethylene diisocyanate
50g
$ 340.00

TRC
1,6-diisocyanatohexane
50mg
$ 75.00

TCI Chemical
Hexamethylene Diisocyanate >98.0%(GC)
500mL
$ 99.00

TCI Chemical
Hexamethylene Diisocyanate >98.0%(GC)
100mL
$ 43.00

TCI Chemical
Hexamethylene Diisocyanate >98.0%(GC)
25mL
$ 23.00

Sigma-Aldrich
Hexamethylene diisocyanate puriss., ≥99.0% (GC)
500ml
$ 395.00

Sigma-Aldrich
Hexamethylene diisocyanate for synthesis. CAS 822-06-0, EC Number 212-485-8, chemical formula OCN(CH ) NCO., for synthesis
8220660250
$ 81.90

Sigma-Aldrich
Hexamethylene diisocyanate for synthesis
250 mL
$ 78.44

Sigma-Aldrich
HMDI analytical standard
2 mL
$ 61.40

Sigma-Aldrich
Hexamethylene diisocyanate puriss., ≥99.0% (GC)
25ml
$ 45.40

Total 49 raw suppliers

Chemical Property of Hexamethylene diisocyanate Edit

Chemical Property:

Appearance/Colour:colourless liquid
Vapor Pressure:0.05 mm Hg ( 25 °C)
Melting Point:-55 °C
Refractive Index:1.453
Boiling Point:255 °C at 760 mmHg
Flash Point:140 °C
PSA：58.86000
Density:1.01 g/cm³
LogP:1.21840
Storage Temp.:2-8°C
Sensitive.:Moisture Sensitive
Water Solubility.:Reacts
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:168.089877630
Heavy Atom Count:12
Complexity:169
Transport DOT Label:Poison

Purity/Quality:

99%, ^*data from raw suppliers

Hexamethylene diisocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T,T+,F
Statements: 23-36/37/38-42/43-41-34-26-22-39/23/24/25-23/24/25-11
Safety Statements: 26-28-38-45-28A-36/37/39-23-36/37-16-7

MSDS Files:

Useful:

Chemical Classes:Plastics & Rubber -> Diisocyanates
Canonical SMILES:C(CCCN=C=O)CCN=C=O
Recent ClinicalTrials:Phase II Study of KW2871 Combined With High Dose Interferon-α2b in Patients With Metastatic Melanoma
Inhalation Risk:A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
Effects of Short Term Exposure:The substance is severely irritating to the eyes. The substance is irritating to the skin and respiratory tract. Inhalation may cause asthmatic reactions.
Effects of Long Term Exposure:Repeated or prolonged contact may cause skin sensitization. Repeated or prolonged inhalation may cause asthma.
Description This diisocyanate compound is used in the manufacture of various polyurethane products: elastic and rigid foams, paints, lacquers, adhesives, bin ding agents, synthetic rubbers, and elastomeric fibers.
Uses 1,6-Hexamethylenediisocyanate is a chemical intermediate used in the production of urethane products. Cross-linking agent (hardener) in the production of polyurethane materials such as car paints, dental materials, and contact lenses Hexamethylene diisocyanate (HDI) is one of the most common aliphatic disocyanates, It is a monomer used in the production of polyurethane foams and exceptionally high-quality coatings, and is found in some industrial paints and spray painting operations. It is a compound which reacts readily with water and alcohols (Von Burg 1993). It has a vapor pressure of 0.05 mm Hg at room temperature, but can be present in aerosol form allowing a potentially higher exposure to individuals. The HDI-BT trimer is often present for similar industrial uses. It would be expected to have a lower vapor pressure; however, the aerosol form can also be present, allowing potentially higher exposure of HDI-BT to individuals. Hexamethylene diisocyanate reacts slowly with water to form carbon dioxide (HSDB 1996). The base-catalyzed reaction of Hexamethylene diisocyanate with alcohols should be carried out in inert solvents; the reaction may occur with explosive violence in the absence of solvents (NFPA 1994).

Technology Process of Hexamethylene diisocyanate

There total 54 articles about Hexamethylene diisocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.8%