3-Isocyanatobenzoyl chloride - CAS 5180-79-0
Catalog: |
BB027612 |
Product Name: |
3-Isocyanatobenzoyl chloride |
CAS: |
5180-79-0 |
Synonyms: |
3-isocyanatobenzoyl chloride |
IUPAC Name: | 3-isocyanatobenzoyl chloride |
Description: | 3-Isocyanatobenzoyl chloride (CAS# 5180-79-0 ) is a useful research chemical. |
Molecular Weight: | 181.58 |
Molecular Formula: | C8H4ClNO2 |
Canonical SMILES: | C1=CC(=CC(=C1)N=C=O)C(=O)Cl |
InChI: | InChI=1S/C8H4ClNO2/c9-8(12)6-2-1-3-7(4-6)10-5-11/h1-4H |
InChI Key: | WBLVOWAHPPPNLF-UHFFFAOYSA-N |
Boiling Point: | 91 ℃ (3 torr) |
Density: | 1.333 g/cm3 |
MDL: | MFCD00013864 |
LogP: | 2.03290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021174983-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
WO-2021112933-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
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 |
CN-107849816-B | Method for treating paperboard and paper media and related treated paperboard and paper media | 20150518 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.9930561 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.9930561 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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