5-(Chloromethyl)tetrazole - CAS 55408-11-2
Catalog: |
BB029031 |
Product Name: |
5-(Chloromethyl)tetrazole |
CAS: |
55408-11-2 |
Synonyms: |
5-(chloromethyl)-2H-tetrazole; 5-(chloromethyl)-2H-tetrazole |
IUPAC Name: | 5-(chloromethyl)-2H-tetrazole |
Description: | 5-(Chloromethyl)tetrazole (CAS# 55408-11-2) is a useful research chemical. |
Molecular Weight: | 118.53 |
Molecular Formula: | C2H3ClN4 |
Canonical SMILES: | C(C1=NNN=N1)Cl |
InChI: | InChI=1S/C2H3ClN4/c3-1-2-4-6-7-5-2/h1H2,(H,4,5,6,7) |
InChI Key: | AGWSISOYPHROLN-UHFFFAOYSA-N |
Boiling Point: | 293.923 °C at 760 mmHg |
Density: | 1.578 g/cm3 |
MDL: | MFCD00512845 |
LogP: | -0.06150 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021107919-A1 | Novel Thienopyrimidones | 20191015 |
WO-2021074197-A1 | Thienopyrimidones as trpa1 inhibitors | 20191015 |
WO-2021030556-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20190814 |
WO-2020260857-A1 | Hydroxamate compounds as antagonists of the adenosine a2a receptor | 20190613 |
WO-2020222011-A1 | Itaconic acid derivatives and uses thereof in treating an inflammatory disease or a disease associated with an undesirable immune response | 20190430 |
Complexity: | 57.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.0046238 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.0046238 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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