3-Bromo-5-chlorosalicylaldehyde
3-Bromo-5-chlorosalicylaldehyde structure
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Common Name | 3-Bromo-5-chlorosalicylaldehyde | ||
|---|---|---|---|---|
| CAS Number | 19652-32-5 | Molecular Weight | 235.462 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 245.3±35.0 °C at 760 mmHg | |
| Molecular Formula | C7H4BrClO2 | Melting Point | 85-88 °C(lit.) | |
| MSDS | USA | Flash Point | 102.1±25.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-bromo-5-chloro-2-hydroxybenzaldehyde |
|---|---|
| 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 | 1.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 245.3±35.0 °C at 760 mmHg |
| Melting Point | 85-88 °C(lit.) |
| Molecular Formula | C7H4BrClO2 |
| Molecular Weight | 235.462 |
| Flash Point | 102.1±25.9 °C |
| Exact Mass | 233.908310 |
| PSA | 37.30000 |
| LogP | 3.61 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.666 |
| InChIKey | KNOYZLVIXXBBIB-UHFFFAOYSA-N |
| SMILES | O=Cc1cc(Cl)cc(Br)c1O |
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.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | 2811.0 |
| WGK Germany | 3 |
| Hazard Class | 6.1 |
| HS Code | 2913000090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
3-Bromo-5-chlor... CAS#:19652-32-5 |
| Literature: GLAXO GROUP LIMITED Patent: WO2008/98978 A2, 2008 ; Location in patent: Page/Page column 37-38 ; WO 2008/098978 A2 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 5 | |
CAS#:188813-16-3
CAS#:25299-26-7
CAS#:116795-47-2![[2-bromo-4-chloro-6-[(2-chlorophenyl)carbamoyl]phenyl] acetate structure](https://image.chemsrc.com/caspic/383/825648-25-7.png)
CAS#:825648-25-7
CAS#:4068-58-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2913000090 |
|---|---|
| Summary | HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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2-Bromo-4-chloro-6-[(E)-o-tolyliminomethyl] phenol. Guo JB.
Acta Crystallogr. Sect. E Struct. Rep. Online 66(10) , o2689-o2689, (2010)
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2-Bromo-4-chloro-6-[(1-phenylethyl) iminomethyl] phenol. Zhang X.
Acta Crystallogr. Sect. E Struct. Rep. Online 64(11) , o2084-o2084, (2008)
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2-Bromo-4-chloro-6-[(E)-(2-chlorophenyl) iminomethyl] phenol. Zhang X.
Acta Crystallogr. Sect. E Struct. Rep. Online 65(4) , o667-o667, (2009)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: In Vitro Assay from US Patent US9981901: "IRE-1α inhibitors"
Source: BindingDB
Target: N/A
External Id: BindingDB_3284_1
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Name: In Vitro Enzyme Assays from US Patent US8614253: "IRE-1α inhibitors"
Source: BindingDB
Target: N/A
External Id: BindingDB_6134_1
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Name: In Vitro Enzyme Assay from US Patent US9241942: "IRE-1α inhibitors"
Source: BindingDB
Target: N/A
External Id: BindingDB_7561_1
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00051690 |
| 3-Bromo-5-chloro-2-hydroxybenzaldehyde |
| 3-bromo-5-chloro-salicylaldehyde |
| 2-bromo-4-chloro-6-formylphenol |
| 3-bromo-5-chloro-2-hydroxy-benzaldehyde |
| 3-Bromo-5-chlorosalicylaldehyde |
| VHR BQ EG CE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 3-bromo-5-chloro-2-hydroxybenzaldehyde? |
| A: Molecular formula of 3-bromo-5-chloro-2-hydroxybenzaldehyde is C7H4BrClO2. |
| Q: What is the LogP of 3-bromo-5-chloro-2-hydroxybenzaldehyde? |
| A: LogP of 3-bromo-5-chloro-2-hydroxybenzaldehyde is 3.61. |
| Q: What is the SMILES notation of 3-bromo-5-chloro-2-hydroxybenzaldehyde? |
| A: SMILES notation of 3-bromo-5-chloro-2-hydroxybenzaldehyde is O=Cc1cc(Cl)cc(Br)c1O. |
| Q: What is the InChIKey of 3-bromo-5-chloro-2-hydroxybenzaldehyde? |
| A: InChIKey of 3-bromo-5-chloro-2-hydroxybenzaldehyde is KNOYZLVIXXBBIB-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 3-bromo-5-chloro-2-hydroxybenzaldehyde? |
| A: Polar surface area (PSA) of 3-bromo-5-chloro-2-hydroxybenzaldehyde is 37.30000. |
| Q: What is the molecular weight of 3-bromo-5-chloro-2-hydroxybenzaldehyde? |
| A: Molecular weight of 3-bromo-5-chloro-2-hydroxybenzaldehyde is 235.462. |
| Q: What are the upstream materials of 3-bromo-5-chloro-2-hydroxybenzaldehyde? |
| A: Related upstream materials(CAS) of 3-bromo-5-chloro-2-hydroxybenzaldehyde: 635-93-8. |
| Q: What are the downstream products of 3-bromo-5-chloro-2-hydroxybenzaldehyde? |
| A: Related downstream products(CAS) of 3-bromo-5-chloro-2-hydroxybenzaldehyde: 188813-16-3;25299-26-7;116795-47-2;825648-25-7;4068-58-0. |
| Q: What English synonyms does 3-bromo-5-chloro-2-hydroxybenzaldehyde have? |
| A: English synonyms of 3-bromo-5-chloro-2-hydroxybenzaldehyde: MFCD00051690, 3-Bromo-5-chloro-2-hydroxybenzaldehyde, 3-bromo-5-chloro-salicylaldehyde, 2-bromo-4-chloro-6-formylphenol, 3-bromo-5-chloro-2-hydroxy-benzaldehyde, 3-Bromo-5-chlorosalicylaldehyde, VHR BQ EG CE. |
| Q: What is the English name of 3-bromo-5-chloro-2-hydroxybenzaldehyde? |
| A: The English name of 3-bromo-5-chloro-2-hydroxybenzaldehyde is 3-bromo-5-chloro-2-hydroxybenzaldehyde. |
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. |
| Henan Tianfu Chemical Co., Ltd. |