2-Chlorobenzyl isocyanate - CAS 55204-93-8
Catalog: |
BB028944 |
Product Name: |
2-Chlorobenzyl isocyanate |
CAS: |
55204-93-8 |
Synonyms: |
1-chloro-2-(isocyanatomethyl)benzene |
IUPAC Name: | 1-chloro-2-(isocyanatomethyl)benzene |
Description: | 2-Chlorobenzyl isocyanate (CAS# 55204-93-8) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | C1=CC=C(C(=C1)CN=C=O)Cl |
InChI: | InChI=1S/C8H6ClNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2 |
InChI Key: | IBRWLEYNCGRJLX-UHFFFAOYSA-N |
Boiling Point: | 238 ℃ (lit.) |
Density: | 1.149 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00673061 |
LogP: | 2.17580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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 |
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 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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