5-Bromoindole-3-carboxaldehyde
5-Bromoindole-3-carboxaldehyde structure
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Common Name | 5-Bromoindole-3-carboxaldehyde | ||
|---|---|---|---|---|
| CAS Number | 877-03-2 | Molecular Weight | 224.054 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 395.5±22.0 °C at 760 mmHg | |
| Molecular Formula | C9H6BrNO | Melting Point | 204-207 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 193.0±22.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Bromoindole-3-carboxaldehyde |
|---|---|
| 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 | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 395.5±22.0 °C at 760 mmHg |
| Melting Point | 204-207 °C(lit.) |
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.054 |
| Flash Point | 193.0±22.3 °C |
| Exact Mass | 222.963272 |
| PSA | 32.86000 |
| LogP | 2.54 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.752 |
| InChIKey | PEENKJZANBYXNB-UHFFFAOYSA-N |
| SMILES | O=Cc1c[nH]c2ccc(Br)cc12 |
| Storage condition | Room temperature. |
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 |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933990090 |
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 10 | |
|---|---|
| DownStream 10 | |
CAS#:10075-50-0
CAS#:68-12-2
CAS#:4885-02-3
CAS#:325800-39-3
CAS#:100-61-8
CAS#:487-89-8
CAS#:120-72-9
CAS#:26807-68-1
CAS#:26807-69-2
CAS#:16732-70-0
CAS#:400071-95-6
CAS#:90271-86-6
CAS#:827-01-0
CAS#:61-54-1
CAS#:10075-48-6
CAS#:10102-94-0
CAS#:196081-79-5
CAS#:851524-90-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Synthesis and antifungal activity of novel streptochlorin analogues.
Eur. J. Med. Chem. 92 , 776-83, (2015) Streptochlorin, first isolated as a new antibiotic in 1988 from the lipophilic extracts of the mycelium of a Streptomyces sp, is an indole natural products with a variety of biological activities. Bas... |
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Antibiotic metabolites from a marine pseudomonad.
Antimicrob. Agents Chemother. 11(3) , 411-4, (1977) An antibiotic-producing pseudomonad was isolated from a seawater sample from a La Jolla, Calif., tidepool. The pseudomonad produces two novel antibacterial compounds, 2-n-pentyl-4-quinolinol and 2-n-h... |
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5,5'-Dibromo-bis(3'-indolyl)methane induces Kruppel-like factor 4 and p21 in colon cancer cells.
Mol. Cancer Ther. 7(7) , 2109-20, (2008) Bis(3'-indolyl)methane (DIM) is a metabolite of the phytochemical indole-3-carbinol, and both compounds exhibit a broad spectrum of anticancer activities. We have developed a series of synthetic symme... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: A High Throughput Screening Assay for Inhibitors of Bacterial Motility in Vibrio chol...
Source: Southern Research Institute
Target: N/A
External Id: CHOL_MOT
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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: 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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00152016 |
| 5-Bromo-1H-indole-3-carbaldehyde |
| 5-Bromoindole-3-carboxaldehyde |
| EINECS 212-884-7 |
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 5-Bromoindole-3-carboxaldehyde? |
| A: Molecular formula of 5-Bromoindole-3-carboxaldehyde is C9H6BrNO. |
| Q: What is the SMILES notation of 5-Bromoindole-3-carboxaldehyde? |
| A: SMILES notation of 5-Bromoindole-3-carboxaldehyde is O=Cc1c[nH]c2ccc(Br)cc12. |
| Q: What are the upstream materials of 5-Bromoindole-3-carboxaldehyde? |
| A: Related upstream materials(CAS) of 5-Bromoindole-3-carboxaldehyde: 10075-50-0;68-12-2;4885-02-3;325800-39-3;100-61-8;487-89-8;120-72-9;26807-68-1;26807-69-2;16732-70-0. |
| Q: What is the safety information for 5-Bromoindole-3-carboxaldehyde? |
| A: Safety information for 5-Bromoindole-3-carboxaldehyde: S26-S36-S37/39. |
| Q: What is the boiling point of 5-Bromoindole-3-carboxaldehyde? |
| A: Boiling point of 5-Bromoindole-3-carboxaldehyde is 395.5±22.0 °C at 760 mmHg. |
| Q: What is the LogP of 5-Bromoindole-3-carboxaldehyde? |
| A: LogP of 5-Bromoindole-3-carboxaldehyde is 2.54. |
| Q: What is the melting point of 5-Bromoindole-3-carboxaldehyde? |
| A: Melting point of 5-Bromoindole-3-carboxaldehyde is 204-207 °C(lit.). |
| Q: What is the CAS number of 5-Bromoindole-3-carboxaldehyde? |
| A: CAS number of 5-Bromoindole-3-carboxaldehyde is 877-03-2. |
| Q: What is the polar surface area (PSA) of 5-Bromoindole-3-carboxaldehyde? |
| A: Polar surface area (PSA) of 5-Bromoindole-3-carboxaldehyde is 32.86000. |
| Q: What are the storage conditions for 5-Bromoindole-3-carboxaldehyde? |
| A: Storage conditions for 5-Bromoindole-3-carboxaldehyde: Room temperature. |
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. |