2-Chlorobenzenesulfonyl isocyanate - CAS 64900-65-8
Catalog: |
BB032588 |
Product Name: |
2-Chlorobenzenesulfonyl isocyanate |
CAS: |
64900-65-8 |
Synonyms: |
2-chloro-N-(oxomethylidene)benzenesulfonamide |
IUPAC Name: | 2-chloro-N-(oxomethylidene)benzenesulfonamide |
Description: | 2-Chlorobenzenesulfonylisocyanate can be used to treat inflammatory and immunological diseases. |
Molecular Weight: | 217.63 |
Molecular Formula: | C7H4ClNO3S |
Canonical SMILES: | C1=CC=C(C(=C1)S(=O)(=O)N=C=O)Cl |
InChI: | InChI=1S/C7H4ClNO3S/c8-6-3-1-2-4-7(6)13(11,12)9-5-10/h1-4H |
InChI Key: | LALCDSDHLXWTTL-UHFFFAOYSA-N |
Boiling Point: | 285 °C (lit.) |
Density: | 1.484 g/mL at 25 °C (lit.) |
Appearance: | Liquid |
MDL: | MFCD00037078 |
LogP: | 2.44530 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.9600419 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.9600419 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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