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3173-72-6 | 1,5-Naphthalene Diisocyanate
CAS No: 3173-72-6 Catalog No: AG003B0R MDL No:MFCD00039588
Product Description
Catalog Number:
AG003B0R
Chemical Name:
1,5-Naphthalene Diisocyanate
CAS Number:
3173-72-6
Molecular Formula:
C12H6N2O2
Molecular Weight:
210.1882
MDL Number:
MFCD00039588
IUPAC Name:
1,5-diisocyanatonaphthalene
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
SMILES:
O=C=Nc1cccc2c1cccc2N=C=O
UNII:
0ORB22ST7M
NSC Number:
240728
RTECS Number:
NQ9600000
UN Number:
2206
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.192g/mol
Monoisotopic Mass:
210.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Surface area and pore structure properties of urethane-based copolymers containing β-cyclodextrin. | Journal of colloid and interface science 20110501 |
| Design and characterization of novel β-cyclodextrin based copolymer materials. | Carbohydrate research 20110201 |
| 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) 20110101 |
| Biological monitoring of exposure to 1,5-naphthalene diisocyanate and 4,4'-methylenediphenyl diisocyanate. | International archives of occupational and environmental health 20060901 |
| Upper reference limits for biomarkers of exposure to aromatic diisocyanates. | International archives of occupational and environmental health 20050801 |
| 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 20030101 |
| Haemorrhagic hypersensitivity pneumonitis due to naphthylene-1,5-diisocyanate. | The European respiratory journal 20020201 |
| 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 20010401 |
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