5-Chloro-1-phenyl-1H-tetrazole - CAS 14210-25-4
Catalog: |
BB009296 |
Product Name: |
5-Chloro-1-phenyl-1H-tetrazole |
CAS: |
14210-25-4 |
Synonyms: |
5-chloro-1-phenyltetrazole |
IUPAC Name: | 5-chloro-1-phenyltetrazole |
Description: | 5-Chloro-1-phenyl-1H-tetrazole (CAS# 14210-25-4) is used as a reactant in the preparation of biaryls via phosphine-catalyzed Suzuki-Miyaura coupling of aryl halides with arylboronic acids. |
Molecular Weight: | 180.59 |
Molecular Formula: | C7H5ClN4 |
Canonical SMILES: | C1=CC=C(C=C1)N2C(=NN=N2)Cl |
InChI: | InChI=1S/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H |
InChI Key: | DHELIGKVOGTMGF-UHFFFAOYSA-N |
Boiling Point: | 335.8 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00003128 |
LogP: | 1.31570 |
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 |
WO-2021065898-A1 | Azepan derivative | 20190930 |
CN-110627736-A | Method for recycling 1-phenyl-5-hydroxy tetrazole | 20190926 |
CN-110627736-B | Method for recycling 1-phenyl-5-hydroxy tetrazole | 20190926 |
WO-2020240266-A1 | New endoperoxide compounds, process for obtaining them and uses thereof for control of perkinsiosis in bivalves | 20190531 |
WO-2019173123-A1 | Methods and compositions to reduce azoles and aox corrosion inhibitors | 20180308 |
PMID | Publication Date | Title | Journal |
21837039 | 20110701 | 5-Chloro-1-phenyl-1H-tetra-zole | Acta crystallographica. Section E, Structure reports online |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0202739 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0202739 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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