4-Ethoxy-2-nitrophenyl isocyanate - CAS 108128-49-0
Catalog: |
BB002173 |
Product Name: |
4-Ethoxy-2-nitrophenyl isocyanate |
CAS: |
108128-49-0 |
Synonyms: |
4-ethoxy-1-isocyanato-2-nitrobenzene |
IUPAC Name: | 4-ethoxy-1-isocyanato-2-nitrobenzene |
Description: | 4-Ethoxy-2-nitrophenyl isocyanate (CAS# 108128-49-0 ) is a useful research chemical. |
Molecular Weight: | 208.17 |
Molecular Formula: | C9H8N2O4 |
Canonical SMILES: | CCOC1=CC(=C(C=C1)N=C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8N2O4/c1-2-15-7-3-4-8(10-6-12)9(5-7)11(13)14/h3-5H,2H2,1H3 |
InChI Key: | ANUZRQJHDHUGTM-UHFFFAOYSA-N |
Boiling Point: | 340.9 °C at 760 mmHg |
Melting Point: | 54-58 °C(lit.) |
Purity: | 95 % |
Density: | 1.28 g/cm3 |
MDL: | MFCD03427181 |
LogP: | 2.48400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021004842-A1 | Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife | 20190708 |
TW-202003448-A | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
WO-2019197638-A1 | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
CN-112020525-A | Adducts of amine catalysts for making isocyanurate polymers | 20180413 |
EP-3774961-A1 | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.04840674 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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