5-Bromo-2-methoxybenzoic acid
5-Bromo-2-methoxybenzoic acid structure
|
Common Name | 5-Bromo-2-methoxybenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 2476-35-9 | Molecular Weight | 231.043 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 334.7±27.0 °C at 760 mmHg | |
| Molecular Formula | C8H7BrO3 | Melting Point | 118-122ºC | |
| MSDS | Chinese USA | Flash Point | 156.2±23.7 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Bromo-2-methoxybenzoic acid |
|---|---|
| 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.
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 334.7±27.0 °C at 760 mmHg |
| Melting Point | 118-122ºC |
| Molecular Formula | C8H7BrO3 |
| Molecular Weight | 231.043 |
| Flash Point | 156.2±23.7 °C |
| Exact Mass | 229.957855 |
| PSA | 46.53000 |
| LogP | 2.57 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.584 |
| InChIKey | JFDUXZIRWBYBAQ-UHFFFAOYSA-N |
| SMILES | COc1ccc(Br)cc1C(=O)O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 |
| Precautionary Statements | P301 + P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T: Toxic; |
| Risk Phrases | R25 |
| Safety Phrases | 45 |
| RIDADR | UN 2811 |
| HS Code | 2918990090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:25016-01-7
CAS#:579-75-9
CAS#:7120-41-4
CAS#:89-55-4
CAS#:77-78-1
CAS#:104-92-7
CAS#:124-38-9
CAS#:69-72-7
CAS#:21702-84-1
CAS#:4068-76-2
CAS#:107410-07-1
CAS#:55082-33-2
CAS#:106-41-2
CAS#:95-56-7
CAS#:303111-31-1
CAS#:99-58-1
CAS#:13130-23-9
CAS#:773134-60-4
CAS#:67657-90-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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|
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Bromo-o-anisic acid |
| 5-Brom-2-methoxy-benzoesaeure |
| 5-Bromo-2-methoxybenzoic acid |
| 2-Methoxy-5-bromobenzoic acid |
| 5-bromoo-2-methoxybenzoic acid |
| Methylaether-5-brom-salicylsaeure |
| 5-bromo-2-methoxy-benzoic acid |
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 5-Bromo-2-methoxybenzoic acid? |
| A: Polar surface area (PSA) of 5-Bromo-2-methoxybenzoic acid is 46.53000. |
| Q: What are the upstream materials of 5-Bromo-2-methoxybenzoic acid? |
| A: Related upstream materials(CAS) of 5-Bromo-2-methoxybenzoic acid: 25016-01-7;579-75-9;7120-41-4;89-55-4;77-78-1;104-92-7;124-38-9;69-72-7;21702-84-1;4068-76-2. |
| Q: What is the InChIKey of 5-Bromo-2-methoxybenzoic acid? |
| A: InChIKey of 5-Bromo-2-methoxybenzoic acid is JFDUXZIRWBYBAQ-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 5-Bromo-2-methoxybenzoic acid? |
| A: Molecular formula of 5-Bromo-2-methoxybenzoic acid is C8H7BrO3. |
| Q: What is the molecular weight of 5-Bromo-2-methoxybenzoic acid? |
| A: Molecular weight of 5-Bromo-2-methoxybenzoic acid is 231.043. |
| Q: What is the melting point of 5-Bromo-2-methoxybenzoic acid? |
| A: Melting point of 5-Bromo-2-methoxybenzoic acid is 118-122ºC. |
| Q: What is the LogP of 5-Bromo-2-methoxybenzoic acid? |
| A: LogP of 5-Bromo-2-methoxybenzoic acid is 2.57. |
| Q: What English synonyms does 5-Bromo-2-methoxybenzoic acid have? |
| A: English synonyms of 5-Bromo-2-methoxybenzoic acid: 5-Bromo-o-anisic acid, 5-Brom-2-methoxy-benzoesaeure, 5-Bromo-2-methoxybenzoic acid, 2-Methoxy-5-bromobenzoic acid, 5-bromoo-2-methoxybenzoic acid, Methylaether-5-brom-salicylsaeure, 5-bromo-2-methoxy-benzoic acid. |
| Q: What is the SMILES notation of 5-Bromo-2-methoxybenzoic acid? |
| A: SMILES notation of 5-Bromo-2-methoxybenzoic acid is COc1ccc(Br)cc1C(=O)O. |
| Q: What is the safety information for 5-Bromo-2-methoxybenzoic acid? |
| A: Safety information for 5-Bromo-2-methoxybenzoic acid: 45. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |