2-(Bromoacetyl)-1,3-benzothiazole structure
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Common Name | 2-(Bromoacetyl)-1,3-benzothiazole | ||
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CAS Number | 54223-20-0 | Molecular Weight | 256.119 | |
Density | 1.7±0.1 g/cm3 | Boiling Point | 347.7±44.0 °C at 760 mmHg | |
Molecular Formula | C9H6BrNOS | Melting Point | 86-87ºC | |
MSDS | N/A | Flash Point | 164.1±28.4 °C |
Name | 1-(1,3-benzothiazol-2-yl)-2-bromoethanone |
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Synonym | More Synonyms |
Density | 1.7±0.1 g/cm3 |
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Boiling Point | 347.7±44.0 °C at 760 mmHg |
Melting Point | 86-87ºC |
Molecular Formula | C9H6BrNOS |
Molecular Weight | 256.119 |
Flash Point | 164.1±28.4 °C |
Exact Mass | 254.935333 |
PSA | 58.20000 |
LogP | 2.72 |
Vapour Pressure | 0.0±0.8 mmHg at 25°C |
Index of Refraction | 1.700 |
Storage condition | 2-8°C |
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: Immediately 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. 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: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. 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# 54223-20-0: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 85 - 87 deg C 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: C9H6BrNOS Molecular Weight: 256.12 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 54223-20-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone - 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: CORROSIVE SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 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# 54223-20-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 54223-20-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 54223-20-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | C:Corrosive; |
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Risk Phrases | R34 |
Safety Phrases | S26-S36/37/39-S45 |
HS Code | 2934200090 |
~27% 2-(Bromoacetyl)... CAS#:54223-20-0 |
Literature: PFIZER PRODUCTS INC. Patent: WO2008/4117 A1, 2008 ; Location in patent: Page/Page column 143 ; |
~77% 2-(Bromoacetyl)... CAS#:54223-20-0 |
Literature: Podea, Paula Veronica; Paizs, Csaba; Tosa, Monica Ioana; Irimie, Florin Dan Tetrahedron Asymmetry, 2008 , vol. 19, # 16 p. 1959 - 1964 |
~% 2-(Bromoacetyl)... CAS#:54223-20-0 |
Literature: WO2004/106345 A2, ; Page 50 ; |
~% 2-(Bromoacetyl)... CAS#:54223-20-0 |
Literature: Indian Journal of Chemistry, , vol. 8, p. 882 - 884 |
~% 2-(Bromoacetyl)... CAS#:54223-20-0 |
Literature: Indian Journal of Chemistry, , vol. 8, p. 882 - 884 |
Precursor 7 | |
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DownStream 8 | |
HS Code | 2934200090 |
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Summary | 2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
2-bromoacetylbenzothiazole |
T56 BN DSJ CV1E |
1-(1,3-Benzothiazol-2-yl)-2-bromoethan-1-one |
2-(Bromoacetyl)-1,3-benzothiazole |
2-bromo-1-benzothiazol-2-ylethanone |
1-(1,3-Benzothiazol-2-yl)-2-bromoethanone |
Ethanone, 1-(2-benzothiazolyl)-2-bromo- |
1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone |