5-(o-Tolyl)tetrazole - CAS 51449-86-6
Catalog: |
BB027446 |
Product Name: |
5-(o-Tolyl)tetrazole |
CAS: |
51449-86-6 |
Synonyms: |
5-(2-methylphenyl)-2H-tetrazole; 5-(2-methylphenyl)-2H-tetrazole |
IUPAC Name: | 5-(2-methylphenyl)-2H-tetrazole |
Description: | 5-(o-Tolyl)tetrazole (CAS# 51449-86-6 ) is a useful research chemical. |
Molecular Weight: | 160.18 |
Molecular Formula: | C8H8N4 |
Canonical SMILES: | CC1=CC=CC=C1C2=NNN=N2 |
InChI: | InChI=1S/C8H8N4/c1-6-4-2-3-5-7(6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) |
InChI Key: | MTBUOESFHRORQT-UHFFFAOYSA-N |
Boiling Point: | 343 ℃ at 760 mmHg |
Density: | 1.241 g/cm3 |
MDL: | MFCD03093095 |
LogP: | 1.17510 |
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-2021127337-A1 | Trpml modulators | 20191219 |
WO-2020023356-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20180723 |
CN-107286110-A | Application of the tetrazole compound in antiepileptic | 20160403 |
EP-3353167-B1 | Modulators of indoleamine 2,3-dioxygenase | 20150924 |
WO-2017051353-A1 | Modulators of indoleamine 2,3-dioxygenase | 20150924 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.074896272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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