5-(3-Bromophenyl)-1H-1,2,3,4-tetrazole
Properties
- Molecular formula
- C7H5BrN4
- Molar mass
- 225.05 g/mol
- Exact mass
- 223.9698 Da
- Melting point
- 145–146 °C (decomposes)
- logP
- 1.63Crippen estimate
- Polar surface area
- 54.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3440-99-1SMILES
Brc1cccc(-c2nn[nH]n2)c1InChIKey
UVKPUDRFBHSFJH-UHFFFAOYSA-NInChI
InChI=1S/C7H5BrN4/c8-6-3-1-2-5(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
6 names
- 5-(3-Bromophenyl)-2H-tetrazole
- 2H-Tetrazole, 5-(3-bromophenyl)-
- Tetrazole, 5-(m-bromophenyl)-
- 1H-Tetrazole, 5-(3-bromophenyl)-
- 5-(m-Bromophenyl)tetrazole
- 5-(3-Bromophenyl)-1H-tetrazole
Work with 5-(3-Bromophenyl)-1H-1,2,3,4-tetrazole
Similar compounds
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5-(3-Aminophenyl)tetrazole73732-51-160 % similar
5-Phenyltetrazole18039-42-458 % similar
5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-453 % similar
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine864377-31-153 % similar
2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine1606981-69-450 % similar
3-(2H-Tetrazol-5-yl)pyridine3250-74-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds