4-(1H-Tetrazol-5-yl)benzoic Acid - CAS 34114-12-0
Catalog: |
BB021969 |
Product Name: |
4-(1H-Tetrazol-5-yl)benzoic Acid |
CAS: |
34114-12-0 |
Synonyms: |
4-(2H-tetrazol-5-yl)benzoic acid; 4-(2H-tetrazol-5-yl)benzoic acid |
IUPAC Name: | 4-(2H-tetrazol-5-yl)benzoic acid |
Description: | 4-(1H-Tetrazol-5-yl)benzoic Acid (CAS# 34114-12-0 ) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C8H6N4O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=NNN=N2)C(=O)O |
InChI: | InChI=1S/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12) |
InChI Key: | GEKBULKUEADYRB-UHFFFAOYSA-N |
Boiling Point: | 467.5 °C at 760 mmHg |
Density: | 1.518 g/cm3 |
MDL: | MFCD01569290 |
LogP: | 0.56490 |
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-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
CN-111217450-A | Process for treating nitrogen-containing wastewater by coupling porous organic-inorganic hybrid material and organisms and control method | 20200210 |
CN-111234243-A | Metal organic framework material, preparation method thereof and immunosensor | 20191231 |
CN-111234243-B | Metal organic framework material, preparation method thereof and immunosensor | 20191231 |
KR-102090155-B1 | Process for preparing 5-substituted-1h-tetrazoles in aqueous betaine solution | 20191122 |
PMID | Publication Date | Title | Journal |
19301919 | 20090420 | Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies | Inorganic chemistry |
21202986 | 20080628 | 4-(1H-Tetra-zol-5-yl)benzoic acid monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.04907545 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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