5-(3-Bromophenyl)-1H-tetrazole - CAS 3440-99-1
Catalog: |
BB022123 |
Product Name: |
5-(3-Bromophenyl)-1H-tetrazole |
CAS: |
3440-99-1 |
Synonyms: |
5-(3-bromophenyl)-2H-tetrazole; 5-(3-bromophenyl)-2H-tetrazole |
IUPAC Name: | 5-(3-bromophenyl)-2H-tetrazole |
Description: | 5-(3-Bromophenyl)-1H-tetrazole (CAS# 3440-99-1) is a useful research chemical. |
Molecular Weight: | 225.05 |
Molecular Formula: | C7H5BrN4 |
Canonical SMILES: | C1=CC(=CC(=C1)Br)C2=NNN=N2 |
InChI: | InChI=1S/C7H5BrN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12) |
InChI Key: | UVKPUDRFBHSFJH-UHFFFAOYSA-N |
Boiling Point: | 390.7 °C at 760 mmHg |
Density: | 1.745 g/cm3 |
LogP: | 1.62920 |
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-2020117832-A1 | Small molecule inhibitors of the bfrb:bfd interaction | 20181204 |
KR-20190110740-A | Novel aryl or heteroaryl triazolone derivatives or its salt and pharmaceutical compositions comprising the same | 20180321 |
TW-202003476-A | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-10562865-B2 | Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-2019308944-A1 | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
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: | 223.96976 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.96976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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