5-(3-Fluorophenyl)-1H-tetrazole - CAS 50907-20-5
Catalog: |
BB027256 |
Product Name: |
5-(3-Fluorophenyl)-1H-tetrazole |
CAS: |
50907-20-5 |
Synonyms: |
5-(3-fluorophenyl)-2H-tetrazole; 5-(3-fluorophenyl)-2H-tetrazole |
IUPAC Name: | 5-(3-fluorophenyl)-2H-tetrazole |
Description: | 5-(3-Fluorophenyl)-1H-tetrazole (CAS# 50907-20-5) is a useful research chemical. |
Molecular Weight: | 164.14 |
Molecular Formula: | C7H5FN4 |
Canonical SMILES: | C1=CC(=CC(=C1)F)C2=NNN=N2 |
InChI: | InChI=1S/C7H5FN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12) |
InChI Key: | SEYSTLGMSOLFBD-UHFFFAOYSA-N |
Boiling Point: | 335.5 °C at 760 mmHg |
Density: | 1.403 g/cm3 |
Appearance: | White powder |
MDL: | MFCD01075702 |
LogP: | 1.00580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2017175066-A1 | Heterocyclic gpr119 agonist compounds | 20160408 |
WO-2012166891-A2 | Mu-opioid receptor binding compounds | 20110531 |
WO-2012145361-A1 | Modulators of the gpr119 receptor and the treatment of disorders related thereto | 20110419 |
CA-2705368-A1 | Azetidines as ep2 antagonists | 20071115 |
EP-2222665-A1 | Azetidines as ep2 antagonists | 20071115 |
PMID | Publication Date | Title | Journal |
18835718 | 20081101 | Inhibition of the CRM1-mediated nucleocytoplasmic transport by N-azolylacrylates: structure-activity relationship and mechanism of action | Bioorganic & medicinal chemistry |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.04982434 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.04982434 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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