2,4-Dichlorobenzyl isocyanate - CAS 19654-32-1
Catalog: |
BB015199 |
Product Name: |
2,4-Dichlorobenzyl isocyanate |
CAS: |
19654-32-1 |
Synonyms: |
2,4-dichloro-1-(isocyanatomethyl)benzene |
IUPAC Name: | 2,4-dichloro-1-(isocyanatomethyl)benzene |
Description: | 2,4-Dichlorobenzyl isocyanate (CAS# 19654-32-1) is a useful research chemical. |
Molecular Weight: | 202.04 |
Molecular Formula: | C8H5Cl2NO |
Canonical SMILES: | C1=CC(=C(C=C1Cl)Cl)CN=C=O |
InChI: | InChI=1S/C8H5Cl2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2 |
InChI Key: | FUIUATRKBRZCQD-UHFFFAOYSA-N |
Boiling Point: | 273 ℃ |
Purity: | 95 % |
Density: | 1.388 g/cm3 |
MDL: | MFCD00037075 |
LogP: | 2.82920 |
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 |
WO-2021004842-A1 | Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife | 20190708 |
TW-202039487-A | 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors | 20181210 |
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 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.9748192 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.9748192 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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