Basic information
- CAS
57058-01-2- Standard SMILES
Brc1ccc(-n2cnnn2)cc1- InChIKey
SFMSAALWEDCZFB-UHFFFAOYSA-N- Molecular formula
- C7H5BrN4
- Average molar mass
- 225.05 g/mol
- Monoisotopic mass
- 223.96976
Names & identifiers
- Preferred name
- 1-(4-bromophenyl)-1H-tetrazole
- IUPAC
- 1-(4-bromophenyl)tetrazole
- English name
- 1-(4-Bromo-Phenyl)-1H-tetrazol
- Molecular formula
- C7H5BrN4
- Molecular weight
- 225.05
Names & synonyms
1-(4-bromophenyl)-1H-tetrazole57058-01-21-(4-bromophenyl)tetrazoleMFCD005742321H-Tetrazole, 1-(4-bromophenyl)-1-(4-bromophenyl)-1H-1,2,3,4-tetrazole1-(4-Bromo-Phenyl)-1H-tetrazol1H-Tetrazole,1-(4-bromophenyl)-BAS 013169751-(4-Bromophenyl)-1H-tetraazoleST0034071-(4-bromophenyl)-1,2,3,4-tetrazole
Show more names
ZINC00055393
1-(4-Bromo-phenyl)-1H-tetrazoleSCHEMBL382818SCHEMBL5543378DTXSID40340018ALBB-027903AC63811-(4-Bromophenyl)-1H-tetraazole #AKOS000174922
Database identifiers
- CAS
57058-01-2- PubChem CID
- 560805
- DTXSID
DTXSID40340018- Nikkaji
- J127.265I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 182 °C · 182 °C(Solv: benzene (71-43-2))
- Boiling point
- 335.8 · 335.8±44.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 0.35 · 0.35±0.10(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Suppliers20 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
1 records
Compound notes
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