104451-99-2
104451-99-2结构式
- 常用中文名：2-氯-6-氟-3-甲基苯甲醛
- 常用英文名：2-Chloro-6-fluoro-3-methylbenzaldehyde
- CAS号：104451-99-2
- 分子式：C8H6ClFO
- 分子量：172.58400
- 相关类别： 化学试剂 有机试剂 芳香醛(含缩醛,半缩醛)
- 发布时间：2018-04-16 08:00:00
- 更新时间：2024-01-11 17:57:44
| 中文名 | 2-氯-6-氟-3-甲基苯甲醛 |
|---|---|
| 英文名 | 2-Chloro-6-fluoro-3-methylbenzaldehyde |
| 中文别名 | 2-氯-6-氟间甲苯甲醛 |
| 英文别名 |
MFCD01631360
2-chloro-6-fluoro-3-methylbenzaldehyde |
| 密度 | 1.292 g/cm3 |
|---|---|
| 沸点 | 225.1ºC at 760 mmHg |
| 熔点 | 30-33 °C(lit.) |
| 分子式 | C8H6ClFO |
| 分子量 | 172.58400 |
| 闪点 | 230 °F |
| 精确质量 | 172.00900 |
| PSA | 17.07000 |
| LogP | 2.60000 |
| 外观性状 | 灰白色结晶固体 |
| 蒸汽压 | 0.0882mmHg at 25°C |
| 折射率 | 1.552 |
| 储存条件 | 密封储存，储存于阴凉、干燥的库房。远离空气，氧化剂。常用惰性气体保护。 |
| 稳定性 | 常温常压下稳定，避免与空气，氧化剂接触。 |
| 分子结构 | 1、摩尔折射率：42.71 2、摩尔体积（cm3/mol）：133.5 3、等张比容（90.2K）：332.9 4、表面张力（dyne/cm）：38.6 5、介电常数：无可用的 6、极化率（10-24cm3）：16.93 7、单一同位素质量：172.009121 Da 8、标称质量：172 Da 9、平均质量：172.584 Da |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.5 2.氢键供体数量:0 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积17.1 7.重原子数量:11 8.表面电荷:0 9.复杂度:151 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：灰黄色或白色固体 2. 密度（g/mL,25℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：30-33 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC，10mmHg）：未确定 7. 折射率(n20/D)：未确定 8. 闪点（ºC）：110 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（mmHg,20ºC）：未确定 12. 饱和蒸气压（kPa,25ºC）：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：不溶于水 |
Synonym:2-Chloro-6-fluoro-m-tolualdehyd Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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. Store under an inert atmosphere. 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# 104451-99-2: 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: 30 - 33 deg C Autoignition Temperature: Not available. Flash Point: 110 deg C ( 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H6ClFO Molecular Weight: 172.59 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Air sensitive. Conditions to Avoid: Incompatible materials, exposure to air. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 104451-99-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Chloro-6-fluoro-3-methylbenzaldehyde - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. 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 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 104451-99-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 104451-99-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 104451-99-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 该物质对环境不危害的，若无政府许可，勿将材料排入周围环境。
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| 海关编码 | 2913000090 |
|---|---|
| 中文概述 | 2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 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 |
| Summary | HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0% |