1,8-Diisocyanatooctane
Product Information
Molecular Formula
C10H16N2O2
Molecular Weight
196.25
Description
1,8-Diisocyanatooctane, an imperative cross-linker nestled within the fabrication intricacies of polyurethane, emerges as an essential player in the biomedical arena. As a cornerstone within Applied Biomedical science, it harnesses control over drug release, predominantly in chronic disease therapeutics, thus bolsters the potency of medicament effectiveness.
Synonyms
Octane, 1,8-diisocyanato-; Isocyanic acid, octamethylene ester; 1,8-Octamethylene diisocyanate; 1,8-Octanediyl diisocyanate; Octamethylene diisocyanate
IUPAC Name
1,8-diisocyanatooctane
SMILES
C(CCCCN=C=O)CCCN=C=O
InChI
InChI=1S/C10H16N2O2/c13-9-11-7-5-3-1-2-4-6-8-12-10-14/h1-8H2
InChI Key
QUPKOUOXSNGVLB-UHFFFAOYSA-N
Boiling Point
126-128°C at 2 Torr
Flash Point
228.2 °CF - closed cup
Purity
95%
Density
0.99±0.1 g/cm3
Storage
Store at 2-8°C
Refractive Index
n20/D 1.455 (lit.)
Related CAS
1674389-31-1 (Deleted CAS)
Safety Information
Hazards
H302 + H312 + H332 - H315 - H319 - H335
Precautionary Statement
P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
Computed Properties
XLogP3
4.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
9
Exact Mass
196.121177757 g/mol
Monoisotopic Mass
196.121177757 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
192
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022040236-A | Packaging materials and products | 2022-01-07 |
| JP-3236461-U | Photosensitive resin composition for sandblasting | 2021-12-21 |
| KR-20210154780-A | Silicon-carbon composite negative elelctrode active material for lithium secondary battery with improved electrochemical properties and method of manufacturing thereof, and lithium secondary batery including the same | 2021-12-02 |
| JP-2022028891-A | Packaging materials and products | 2021-11-29 |
| JP-2022022284-A | Laminates and packaging products with them | 2021-11-25 |
| JP-2022009158-A | Laminates and packaging products with them | 2021-10-14 |
| CN-113856751-A | Catalyst, preparation method thereof and polymerization method of isocyanate | 2021-08-30 |
| CN-113801551-A | Two-component coating composition and articles made therefrom | 2021-08-26 |
| CN-113437170-A | Flexible packaging composite film for solar cell back panel film and preparation method | 2021-06-13 |
| CN-113121816-A | Method for preparing polybutyrolactam by reactive extrusion | 2021-04-01 |
