用作医药中间体
| 中文名 | 2-溴-4,5-二氯咪唑 |
|---|---|
| 英文名 | 2-Bromo-4,5-dichloro-1H-imidazole |
| 中文别名 | 2-溴-4,5-二氯-1H-咪唑 |
| 英文别名 |
2-bromo-4,5-dichloro-imidazole
MFCD00067894 Imidazole,5-dichloro 2-Bromo-4,5-dichloroimidazole Imidazole,2-bromo-4,5-dichloro 1H-Imidazole,2-bromo-4,5-dichloro 2-Brom-4,5-dichlorimidazol |
| 密度 | 2.135 g/cm3 |
|---|---|
| 沸点 | 350.8ºC at 760 mmHg |
| 熔点 | 223 °C (dec.)(lit.) |
| 分子式 | C3HBrCl2N2 |
| 分子量 | 215.86300 |
| 闪点 | 166ºC |
| 精确质量 | 213.87000 |
| PSA | 28.68000 |
| LogP | 2.47900 |
| 外观性状 | 白色晶体或粉末 |
| 蒸汽压 | 4.29E-05mmHg at 25°C |
| 折射率 | 1.636 |
| 储存条件 | 2-8°C |
| 分子结构 | 分子性质数据： 1、 摩尔折射率：36.25 2、 摩尔体积（m3/mol）：101.0 3、 等张比容（90.2K）：283.2 4、 表面张力（dyne/cm）：61.7 5、 极化率（10-24cm3）：14.37 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:1 3.氢键受体数量:1 4.可旋转化学键数量:0 5.互变异构体数量:无 6.拓扑分子极性表面积28.7 7.重原子数量:8 8.表面电荷:0 9.复杂度:91.4 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1.性状：白色结晶或粉末 2.密度（g/mL,25/4℃）：未确定 3.相对蒸汽密度（g/mL,空气=1）：未确定 4.熔点（ºC）：223 5.沸点（ºC,常压）：未确定 6.沸点（ºC,5.2kPa）：未确定 7.折射率：未确定 8.闪点（ºC）：未确定 9.比旋光度（º）：未确定 10.自燃点或引燃温度（ºC）：未确定 11.蒸气压（kPa,25ºC）：未确定 12.饱和蒸气压（kPa,60ºC）：未确定 13.燃烧热（KJ/mol）：未确定 14.临界温度（ºC）：未确定 15.临界压力（KPa）：未确定 16.油水（辛醇/水）分配系数的对数值：未确定 17.爆炸上限（%,V/V）：未确定 18.爆炸下限（%,V/V）：未确定 19.溶解性：未确定 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. 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# 16076-27-0: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 215 - 216 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: C3HBrCl2N2 Molecular Weight: 216 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Acids, oxidizing agents, reducing agents, acid chlorides, bases. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 16076-27-0: NI3517500 LD50/LC50: Not available. Carcinogenicity: 2-Bromo-4,5-dichloro-1H-imidazole - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 16076-27-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 16076-27-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 16076-27-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
|
毒理学数据: 急性毒性：大鼠静脉LD5：10 mg/kg
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| 符号 |
GHS06 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H301-H315-H319-H335 |
| 警示性声明 | Missing Phrase - N15.00950417-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xn:Harmful; |
| 风险声明 (欧洲) | R20/21/22;R36/37/38 |
| 安全声明 (欧洲) | S26-S36-S36/37/39 |
| 危险品运输编码 | UN 2811 6.1 / PGIII |
| WGK德国 | 3 |
| RTECS号 | NI3517500 |
| 海关编码 | 2933290090 |
|
~71%
16076-27-0 |
| 文献：Dirlam; James; Shoop Journal of Organic Chemistry, 1982 , vol. 47, # 11 p. 2196 - 2199 |
| 海关编码 | 2933290090 |
|---|---|
| 中文概述 | 2933290090. 其他结构含非稠合咪唑环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 |
| Summary | 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
