1801-20-3

• 常用中文名：2-溴-2-苯-1,3-茚二酮
• 常用英文名：1H-Indene-1,3(2H)-dione,2-bromo-2-phenyl-
• CAS号：1801-20-3
• 分子式：C₁₅H₉BrO₂
• 分子量：301.13500
• 发布时间：2018-04-17 08:00:00
• 更新时间：2024-01-08 11:42:21

名称

• 中文名: 2-溴-2-苯-1,3-茚二酮
• 英文名: 2-bromo-2-phenylindene-1,3-dione
• 英文别名: 2-Bromo-2-phenyl-1H-indene-1,3(2H)-dione; 2-bromo-2-phenyl-indan-1,3-dione; 2-bromo-2-phenylindane-1,3-dione; 2-Brom-2-phenyl-indan-1,3-dion; 2-Brom-1.3-dioxo-2-phenyl-hydrinden; 1,3-Indandione,2-bromo-2-phenyl; 2-Brom-2-phenyl-indandion-(1,3)

物化性质

• 密度: 1.597g/cm3
• 沸点: 420.3ºC at 760mmHg
• 熔点: 106ºC
• 分子式: C₁₅H₉BrO₂
• 分子量: 301.13500
• 闪点: 134ºC
• 精确质量: 299.97900
• PSA: 34.14000
• LogP: 3.35600
• 蒸汽压: 2.84E-07mmHg at 25°C
• 折射率: 1.675

MSDS

Name: 2-Bromo-2-phenylindane-1 3-dione 97% Material Safety Data Sheet Synonym: CAS: 1801-20-3 Section 1 - Chemical Product MSDS Name:2-Bromo-2-phenylindane-1 3-dione 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1801-20-3 2-Bromo-2-phenylindane-1,3-dione 97% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. 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 water spray, dry chemical, carbon dioxide, or chemical foam. 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. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 1801-20-3: 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: 106 - 107 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: C15H9BrO2 Molecular Weight: 301 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1801-20-3: NK5147000 LD50/LC50: Not available. Carcinogenicity: 2-Bromo-2-phenylindane-1,3-dione - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 1801-20-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1801-20-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1801-20-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NK5147000 CHEMICAL NAME : 1,3-Indandione, 2-bromo-2-phenyl- CAS REGISTRY NUMBER : 1801-20-3 BEILSTEIN REFERENCE NO. : 1971277 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C15-H9-Br-O2 MOLECULAR WEIGHT : 301.15 WISWESSER LINE NOTATION : T56 BV DV CHJ CE CR HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 460 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,873,1975

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 海关编码: 2914700090

合成路线

83-12-5 ~94% 1801-20-3

文献：Mitka, Katarzyna; Kowalski, Piotr; Sulko, Jerzy; Wozniak, Marian; Kloc, Jowita; Chodkowska, Anna; Jagiello-Wojtowicz, Ewa Acta Poloniae Pharmaceutica - Drug Research, 2002 , vol. 59, # 5 p. 387 - 393

87-41-2 ~% 1801-20-3

文献：Mor, Satbir; Pahal, Preeti; Narasimhan, Balasubramanian European Journal of Medicinal Chemistry, 2012 , vol. 53, p. 176 - 189

100-52-7 ~% 1801-20-3

文献：Mor, Satbir; Pahal, Preeti; Narasimhan, Balasubramanian European Journal of Medicinal Chemistry, 2012 , vol. 53, p. 176 - 189

71400-83-4 ~% 1801-20-3

文献：Wanag; Freimanis; Sakis Zhurnal Obshchei Khimii, 1957 , vol. 27, p. 2509,2512 J. Gen. Chem. USSR (Engl. Transl.), 1957 , vol. 27, p. 2567,2570

29600-47-3 ~% 1801-20-3

文献：Nathanson Chemische Berichte, 1893 , vol. 26, p. 2576

575-61-1 ~% 1801-20-3

文献：Nathanson Chemische Berichte, 1893 , vol. 26, p. 2576

67-66-3 83-12-5 7726-95-6 ~% 1801-20-3

文献：Nathanson Chemische Berichte, 1893 , vol. 26, p. 2576

上下游产品

上游产品  8
83-12-5 87-41-2 100-52-7 71400-83-4
29600-47-3 575-61-1 67-66-3 7726-95-6
下游产品  5
1801-21-4 83-12-5 3206-68-6 17749-39-2
3818-17-5

海关

海关编码	2914700090
中文概述	2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙酮报明包装
Summary	HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%