Ethyl 2-isocyanatobenzoate - CAS 76393-16-3
Catalog: |
BB035565 |
Product Name: |
Ethyl 2-isocyanatobenzoate |
CAS: |
76393-16-3 |
Synonyms: |
ethyl 2-isocyanatobenzoate |
IUPAC Name: | ethyl 2-isocyanatobenzoate |
Description: | Ethyl 2-isocyanatobenzoate (CAS# 76393-16-3) is a useful research chemical. |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | CCOC(=O)C1=CC=CC=C1N=C=O |
InChI: | InChI=1S/C10H9NO3/c1-2-14-10(13)8-5-3-4-6-9(8)11-7-12/h3-6H,2H2,1H3 |
InChI Key: | HXVGHXDQGUPUKY-UHFFFAOYSA-N |
Boiling Point: | 282.9 °C at 760 mmHg |
Density: | 1.12 g/cm3 |
Appearance: | Low mp solid |
MDL: | MFCD00013849 |
LogP: | 1.83060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113262218-A | Application of isothiocyanate compounds | 20200214 |
CN-113181160-A | Application of isothiocyanate compounds | 20200114 |
EP-3298194-A2 | Methods for treating paperboards and paper media, and associated paperboards and paper media | 20150518 |
JP-2018517073-A | Paperboard and paper media processing method and related processed paperboard and paper media | 20150518 |
KR-20180008604-A | METHOD FOR PROCESSING PAPERBOARD AND PAPER MEDIA, AND METHOD FOR PROCESSING PAPERBOARD AND PAPER MEDIA | 20150518 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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