1-benzothiophen-2-ylmethylamine structure
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Common Name | 1-benzothiophen-2-ylmethylamine | ||
|---|---|---|---|---|
| CAS Number | 6314-43-8 | Molecular Weight | 163.240 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 303.9±17.0 °C at 760 mmHg | |
| Molecular Formula | C9H9NS | Melting Point | 58ºC | |
| MSDS | N/A | Flash Point | 137.6±20.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Benzo[b]thiophen-2-ylmethanamine |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 303.9±17.0 °C at 760 mmHg |
| Melting Point | 58ºC |
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.240 |
| Flash Point | 137.6±20.9 °C |
| Exact Mass | 163.045563 |
| PSA | 54.26000 |
| LogP | 3.25 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.692 |
| InChIKey | WKYFWFHTABURGB-UHFFFAOYSA-N |
| SMILES | NCc1cc2ccccc2s1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 6314-43-8: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 110 - 112 deg C @0.25mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H9NS Molecular Weight: 163 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids, acid chlorides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6314-43-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Benzothiophen-2-ylmethylamine - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.* Hazard Class: 8 UN Number: 3259 Packing Group: III IMO Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 3259 Packing Group: III RID/ADR Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 3259 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 6314-43-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6314-43-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6314-43-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | C |
|---|---|
| RIDADR | UN 3259 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-benzothiophen... CAS#:6314-43-8 |
| Literature: Journal of the American Chemical Society, , vol. 74, p. 664 |
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1-benzothiophen... CAS#:6314-43-8 |
| Literature: Synthetic Communications, , vol. 25, # 17 p. 2631 - 2637 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This 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: Inhibition of human LOXL2 expressed in CHO cells incubated for 2 hrs followed by 1,5-...
Source: ChEMBL
Target: Lysyl oxidase homolog 2
External Id: CHEMBL4477150
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Name: Inhibition of human ASIC3 expressed in HEK293 cells assessed as inhibition of acid-ev...
Source: ChEMBL
Target: Acid-sensing ion channel 3
External Id: CHEMBL1772131
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-h...
Source: ChEMBL
Target: Cytochrome P450 2A6
External Id: CHEMBL1924632
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Name: Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin ...
Source: ChEMBL
Target: Cytochrome P450 2A6
External Id: CHEMBL3390302
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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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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: Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin ...
Source: ChEMBL
Target: Cytochrome P450 2A6
External Id: CHEMBL3390303
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Name: Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu...
Source: 15621
Target: G protein-activated inward rectifier potassium channel 2
External Id: VANDERBILT_HTS_GIRK2_HPP
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(1-Benzothiophen-2-yl)methanamine |
| Benzo[b]thiophene-2-methanamine |
| 1-benzothiophen-2-ylmethylamine |
| Benzo[b]thiophene-2-methylamine |
| 1-benzothiophen-2-ylmethanamine |
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 Benzo[b]thiophen-2-ylmethanamine? |
| A: Polar surface area (PSA) of Benzo[b]thiophen-2-ylmethanamine is 54.26000. |
| Q: What is the InChIKey of Benzo[b]thiophen-2-ylmethanamine? |
| A: InChIKey of Benzo[b]thiophen-2-ylmethanamine is WKYFWFHTABURGB-UHFFFAOYSA-N. |
| Q: What is the molecular formula of Benzo[b]thiophen-2-ylmethanamine? |
| A: Molecular formula of Benzo[b]thiophen-2-ylmethanamine is C9H9NS. |
| Q: What is the LogP of Benzo[b]thiophen-2-ylmethanamine? |
| A: LogP of Benzo[b]thiophen-2-ylmethanamine is 3.25. |
| Q: What English synonyms does Benzo[b]thiophen-2-ylmethanamine have? |
| A: English synonyms of Benzo[b]thiophen-2-ylmethanamine: 1-(1-Benzothiophen-2-yl)methanamine, Benzo[b]thiophene-2-methanamine, 1-benzothiophen-2-ylmethylamine, Benzo[b]thiophene-2-methylamine, 1-benzothiophen-2-ylmethanamine. |
| Q: What is the CAS number of Benzo[b]thiophen-2-ylmethanamine? |
| A: CAS number of Benzo[b]thiophen-2-ylmethanamine is 6314-43-8. |
| Q: What is the molecular weight of Benzo[b]thiophen-2-ylmethanamine? |
| A: Molecular weight of Benzo[b]thiophen-2-ylmethanamine is 163.240. |
| Q: What are the upstream materials of Benzo[b]thiophen-2-ylmethanamine? |
| A: Related upstream materials(CAS) of Benzo[b]thiophen-2-ylmethanamine: 6314-42-7;95-15-8. |
| Q: What is the boiling point of Benzo[b]thiophen-2-ylmethanamine? |
| A: Boiling point of Benzo[b]thiophen-2-ylmethanamine is 303.9±17.0 °C at 760 mmHg. |
| Q: What is the English name of Benzo[b]thiophen-2-ylmethanamine? |
| A: The English name of Benzo[b]thiophen-2-ylmethanamine is Benzo[b]thiophen-2-ylmethanamine. |
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. |