2-(3-Bromophenyl)benzo[d]oxazole
![2-(3-Bromophenyl)benzo[d]oxazole Structure](https://image.chemsrc.com/caspic/124/99586-31-9.png)
2-(3-Bromophenyl)benzo[d]oxazole structure
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Common Name | 2-(3-Bromophenyl)benzo[d]oxazole | ||
|---|---|---|---|---|
| CAS Number | 99586-31-9 | Molecular Weight | 274.11300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H8BrNO | Melting Point | N/A | |
| MSDS | USA | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3-bromophenyl)-1,3-benzoxazole |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C13H8BrNO |
|---|---|
| Molecular Weight | 274.11300 |
| Exact Mass | 272.97900 |
| PSA | 26.03000 |
| LogP | 4.25730 |
| InChIKey | KHEXVASQRAJENK-UHFFFAOYSA-N |
| SMILES | Brc1cccc(-c2nc3ccccc3o2)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 0 | |
CAS#:3132-99-8
CAS#:95-55-6
CAS#:1711-09-7
CAS#:615-36-1
CAS#:585-76-2
CAS#:591-17-3
CAS#:64908-64-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-FF
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-Ren
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Name: Inhibition of human TTR amyloidogenesis assessed as fibril formation at 7.2 uM after ...
Source: ChEMBL
Target: Transthyretin
External Id: CHEMBL926594
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD01565105 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-(3-bromophenyl)-1,3-benzoxazole? |
| A: Polar surface area (PSA) of 2-(3-bromophenyl)-1,3-benzoxazole is 26.03000. |
| Q: What is the CAS number of 2-(3-bromophenyl)-1,3-benzoxazole? |
| A: CAS number of 2-(3-bromophenyl)-1,3-benzoxazole is 99586-31-9. |
| Q: What is the English name of 2-(3-bromophenyl)-1,3-benzoxazole? |
| A: The English name of 2-(3-bromophenyl)-1,3-benzoxazole is 2-(3-bromophenyl)-1,3-benzoxazole. |
| Q: What English synonyms does 2-(3-bromophenyl)-1,3-benzoxazole have? |
| A: English synonyms of 2-(3-bromophenyl)-1,3-benzoxazole: MFCD01565105. |
| Q: What is the molecular weight of 2-(3-bromophenyl)-1,3-benzoxazole? |
| A: Molecular weight of 2-(3-bromophenyl)-1,3-benzoxazole is 274.11300. |
| Q: What is the LogP of 2-(3-bromophenyl)-1,3-benzoxazole? |
| A: LogP of 2-(3-bromophenyl)-1,3-benzoxazole is 4.25730. |
| Q: What are the upstream materials of 2-(3-bromophenyl)-1,3-benzoxazole? |
| A: Related upstream materials(CAS) of 2-(3-bromophenyl)-1,3-benzoxazole: 3132-99-8;95-55-6;1711-09-7;615-36-1;585-76-2;591-17-3;64908-64-1. |
| Q: What is the InChIKey of 2-(3-bromophenyl)-1,3-benzoxazole? |
| A: InChIKey of 2-(3-bromophenyl)-1,3-benzoxazole is KHEXVASQRAJENK-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 2-(3-bromophenyl)-1,3-benzoxazole? |
| A: SMILES notation of 2-(3-bromophenyl)-1,3-benzoxazole is Brc1cccc(-c2nc3ccccc3o2)c1. |
| Q: What is the molecular formula of 2-(3-bromophenyl)-1,3-benzoxazole? |
| A: Molecular formula of 2-(3-bromophenyl)-1,3-benzoxazole is C13H8BrNO. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |