4-Bromo-5-phenyl-1H-1,2,3-triazole - CAS 21505-14-6
Catalog: |
BB016925 |
Product Name: |
4-Bromo-5-phenyl-1H-1,2,3-triazole |
CAS: |
21505-14-6 |
Synonyms: |
4-bromo-5-phenyl-2H-triazole |
IUPAC Name: | 4-bromo-5-phenyl-2H-triazole |
Description: | 4-Bromo-5-phenyl-1H-1,2,3-triazole (CAS# 21505-14-6 ) is a useful research chemical. |
Molecular Weight: | 224.06 |
Molecular Formula: | C8H6BrN3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NNN=C2Br |
InChI: | InChI=1S/C8H6BrN3/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H,10,11,12) |
InChI Key: | JHODODBNOMARQV-UHFFFAOYSA-N |
MDL: | MFCD12028718 |
LogP: | 2.23420 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021038426-A1 | Substituted 1,3-phenyl heteroaryl derivatives and their use in the treatment of disease | 20190828 |
CN-106478623-A | A kind of synthetic method of triazole isoquinilone derivatives | 20160914 |
CN-106478623-B | A kind of synthetic method of triazole isoquinilone derivatives | 20160914 |
CN-106117154-A | A kind of adjacent aryloxy group 1,4 diaryl 1,2,3 triazole derivatives and its preparation method and application | 20160630 |
CN-104945339-A | Preparation method for 1,4-disubstituted-1,2,3-triazole derivatives | 20150611 |
PMID | Publication Date | Title | Journal |
21925773 | 20111101 | Structure-activity relationship and enzyme kinetic studies on 4-aryl-1H-1,2,3-triazoles as indoleamine 2,3-dioxygenase (IDO) inhibitors | European journal of medicinal chemistry |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.97451 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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