5-(4-Bromophenyl)-2H-tetrazole

C₇H₅BrN₄CAS 50907-23-8225.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅BrN₄
Molar mass: 225.05 g/mol
Exact mass: 223.9698 Da
Melting point: 260.6–261 °C
logP: 1.63Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed89.1% of notifiers
H315 Causes skin irritation10.9% of notifiers
H318 Causes serious eye damage89.1% of notifiers
H319 Causes serious eye irritation10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

50907-23-8

SMILES

Brc1ccc(-c2nn[nH]n2)cc1

InChIKey

YMZMDMWMKVPGDP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

2H-Tetrazole, 5-(4-bromophenyl)-
1H-Tetrazole, 5-(4-bromophenyl)-
Tetrazole, 5-(p-bromophenyl)-
5-(p-Bromophenyl)-1H-tetrazole
5-(p-Bromophenyl)tetrazole
5-(4-Bromophenyl)-1H-tetrazole
5-(4-Bromophenyl)tetrazole
5-Bromo-2-(tetrazol-5-yl)benzene
5-(4′-Bromophenyl)tetrazole
5-(4′-Bromophenyl)-1H-tetrazole

Work with 5-(4-Bromophenyl)-2H-tetrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-475 % similar 5-Phenyltetrazole18039-42-461 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-560 % similar 5-(4-Fluorophenyl)-1H-tetrazole50907-21-660 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-959 % similar 5-(5-Bromo-3-pyridyl)-1H-tetrazole211943-13-458 % similar 5-Bromo-2-(2H-tetrazol-5-yl)pyridine380380-60-958 % similar 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole2251-79-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(3-Bromophenyl)-1H-1,2,3,4-tetrazole3440-99-1 5-(2-Bromophenyl)-2H-tetrazole73096-42-1

Elsewhere

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