Basic information
- CAS
21510-43-0- Standard SMILES
Brc1ccc(-c2nnc(-c3ccccc3)o2)cc1- InChIKey
CNLVYZSUMYQALH-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O
- Average molar mass
- 301.14 g/mol
- Monoisotopic mass
- 299.98983
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
- IUPAC
- 2-(4-bromophenyl)-5-phenyl-1,3,4-oxadiazole
- English name
- 2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
- Molecular formula
- C14H9BrN2O
- Molecular weight
- 301.14
Names & synonyms
2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole21510-43-0N85J74U6RLNSC 89572NSC-895721,3,4-Oxadiazole, 2-(4-bromophenyl)-5-phenyl-DTXSID70175850EINECS 244-413-6RefChem:84353DTXCID5098341244-413-6CNLVYZSUMYQALH-UHFFFAOYSA-N
Show more names
2-Phenyl-5-(4-bromophenyl)-1,3,4-oxadiazole2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole 96%2-(4-BROMOPHENYL)-5-PHENYL-1,3,4-OXADIAZOLE, 98+%JRH-08401, 2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole, 97%
MFCD00050997Cambridge id 5570574UNII-N85J74U6RLSCHEMBL861223F1018-0437AKOS000597273AS-75735CS-0063185
Database identifiers
- CAS
21510-43-0- PubChem CID
- 88931
- DTXSID
DTXSID70175850- UNII
- N85J74U6RL
- EC Number
- 244-413-6
- Nikkaji
- J226.216I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 167 · 167-171 °C(lit.)
- Boiling point
- 418.7 · 418.7±47.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- -5.49 · -5.49±0.37(Predicted)
- color
- White to Almost white
- BRN
- 204891 · 204891
- InChI
- 1S/C14H9BrN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
- InChIKey
- CNLVYZSUMYQALH-UHFFFAOYSA-N
- SMILES
- Brc1ccc(cc1)-c2nnc(o2)-c3ccccc3
- FDA UNII
- 85 J74U6RL · N85J74U6RL
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Risk Statements
- 22 · 22-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers52 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
2 records
Compound notes
Loading…