5-(2-Bromophenyl)-1H-tetrazole - CAS 73096-42-1
Catalog: |
BB034765 |
Product Name: |
5-(2-Bromophenyl)-1H-tetrazole |
CAS: |
73096-42-1 |
Synonyms: |
5-(2-bromophenyl)-2H-tetrazole |
IUPAC Name: | 5-(2-bromophenyl)-2H-tetrazole |
Description: | 5-(2-Bromophenyl)-1H-tetrazole (CAS# 73096-42-1) is a useful research chemical. |
Molecular Weight: | 225.05 |
Molecular Formula: | C7H5BrN4 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NNN=N2)Br |
InChI: | InChI=1S/C7H5BrN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12) |
InChI Key: | YHVBXKTXLJTDRI-UHFFFAOYSA-N |
Boiling Point: | 389.3 ℃ at 760 mmHg |
Melting Point: | 182-184 ℃ |
Purity: | 98 % |
Density: | 1.745 g/cm3 |
Appearance: | White to off-white powder |
Storage: | Flammables area |
LogP: | 1.62920 |
GHS Hazard Statement: | H315 (97.78%): 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 |
EP-3359532-A1 | Biaryl pyrazoles as nrf2 regulators | 20151006 |
JP-2018529745-A | Biarylpyrazoles as NRF2 regulators | 20151006 |
US-10364256-B2 | Biaryl pyrazoles as NRF2 regulators | 20151006 |
US-2018282349-A1 | Biaryl pyrazoles as nrf2 regulators | 20151006 |
WO-2017060854-A1 | Biaryl pyrazoles as nrf2 regulators | 20151006 |
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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