1,5-naphthalene diisocyanate
Product Information
Molecular Formula
C12H6N2O2
Molecular Weight
210.19
Description
1,5-naphthalene diisocyanate is a white to light-yellow crystalline flakes.
Synonyms
1,5-NAPHTHALENEDIISOCYANATE; 1,5-NAPHTHYLENE DIISOCYANATE; 1,5-DIISOCYANATONAPHTHALENE; NAPHTHALENE 1,5-DIISOCYANATE; 1,5-diisocyanato-naphthalen; 1,5-naphthalene; 1,5-naphthyldiisocyanate; desmodur15
IUPAC Name
1,5-diisocyanatonaphthalene
SMILES
C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O
InChI
InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H
InChI Key
SBJCUZQNHOLYMD-UHFFFAOYSA-N
Boiling Point
244°C (100 torr)
Melting Point
130°C
Flash Point
311 °F
Purity
98%
Density
1.45
Appearance
White to light-yellow crystalline flakes.
Storage
0-10°C
Vapor Pressure
0.003 mmHg at 75 °F
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H330:
Fatal if inhaled.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335:
May cause respiratory irritation.
H412:
Harmful to aquatic life with long-lasting effects.
Causes skin irritation.
H319:
Causes serious eye irritation.
H330:
Fatal if inhaled.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335:
May cause respiratory irritation.
H412:
Harmful to aquatic life with long-lasting effects.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P342+P311:
If experiencing respiratory symptoms:
Call a POISON CENTER or doctor/physician.
P403+P233:
Store in a well ventilated place.
Keep container tightly closed.
Do not breathe dust, fumes, gas, mist, vapours, spray.
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P342+P311:
If experiencing respiratory symptoms:
Call a POISON CENTER or doctor/physician.
P403+P233:
Store in a well ventilated place.
Keep container tightly closed.
Computed Properties
XLogP3
4.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
210.042927438 g/mol
Monoisotopic Mass
210.042927438 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
309
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 |
|---|---|---|
| EP-3757145-A2 | Microcellular polyurethane elastomers | 2020-10-27 |
| EP-3757145-A3 | Microcellular polyurethane elastomers | 2020-10-27 |
| US-10934384-B1 | Polyurethane elastomer compositions, and processes thereof | 2020-09-09 |
| US-10934385-B1 | Polyurethane elastomers, bio-additive foam compositions | 2020-09-09 |
| US-10858312-B1 | Gossypol isocyanate ester compounds with antileukemic activities and a method of preparing the same | 2020-07-08 |
| US-11028217-B1 | Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols | 2020-03-13 |
| US-2021189204-A1 | Adhesive, heat-sensitive screen master, and method for producing heat-sensitive screen master | 2019-12-24 |
| EP-3842075-A1 | Siloxane-containing wound dressing | 2019-12-23 |
| US-2021187361-A1 | Golf ball | 2019-12-23 |
| US-2021189189-A1 | Pressure-sensitive adhesive tape | 2019-12-20 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21349528 | 2011-05-01 | Surface area and pore structure properties of urethane-based copolymers containing β-cyclodextrin | Journal of colloid and interface science |
| 21447151 | 2011-03-29 | Elimination kinetics of diisocyanates after specific inhalative challenges in humans: mass spectrometry analysis, as a basis for biomonitoring strategies | Journal of occupational medicine and toxicology (London, England) |
| 21172695 | 2011-02-01 | Design and characterization of novel β-cyclodextrin based copolymer materials | Carbohydrate research |
| 16506043 | 2006-09-01 | Biological monitoring of exposure to 1,5-naphthalene diisocyanate and 4,4'-methylenediphenyl diisocyanate | International archives of occupational and environmental health |
| 15995877 | 2005-08-01 | Upper reference limits for biomarkers of exposure to aromatic diisocyanates | International archives of occupational and environmental health |
| 12944173 | 2003-05-01 | Development, validation and characterization of an analytical method for the quantification of hydrolysable urinary metabolites and plasma protein adducts of 2,4- and 2,6-toluene diisocyanate, 1,5-naphthalene diisocyanate and 4,4'-methylenediphenyl diisocyanate | Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals |
| 11866019 | 2002-02-01 | Haemorrhagic hypersensitivity pneumonitis due to naphthylene-1,5-diisocyanate | The European respiratory journal |
| 11323786 | 2001-04-01 | Respiratory diseases caused by occupational exposure to 1,5-naphthalene-diisocyanate (NDI): Results of workplace-related challenge tests and antibody analyses | American journal of industrial medicine |
