23602-63-3

• 常用中文名：5-氯-3-甲基-2-羟基苯甲醛
• 常用英文名：5-chloro-2-hydroxy-3-methylbenzaldehyde
• CAS号：23602-63-3
• 分子式：C₈H₈O₂
• 分子量：136.148
• 发布时间：2018-12-30 13:26:19
• 更新时间：2024-01-10 23:08:59

名称

• 中文名: 5-氯-2-羟基-3-甲基苯甲醛
• 英文名: 5-chloro-2-hydroxy-3-methylbenzaldehyde
• 中文别名: 5-氯-3-甲基-2-羟基苯甲醛; 3-甲基-5-氯水杨醛
• 英文别名: 3-Methyl-5-chlor-salicylaldehyd; 2-hydroxy-3-methyl-5-chlorobezaldehyde; 3-methyl-5-chloro-2-hydroxybenzaldehyde; 5-Chloro-2-hydroxy-3-methyl-benzaldehyde; 2-Hydroxy-3-methylbenzaldehyde; 2-hydroxy-3-methyl-5-chlorobenzaldehyde; 5-chloro-3-methylsalicylaldehyde; 5-chloro-3-methyl-2-hydroxybenzaldehyde; MFCD00275687; Benzaldehyde, 2-hydroxy-3-methyl-

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 207.9±20.0 °C at 760 mmHg
• 熔点: 67 °C
• 分子式: C₈H₈O₂
• 分子量: 136.148
• 闪点: 82.3±14.4 °C
• 精确质量: 136.052429
• PSA: 37.30000
• LogP: 2.07
• 蒸汽压: 0.2±0.4 mmHg at 25°C
• 折射率: 1.602
• 储存条件:

  干性的保护气体下处置，

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方
• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触氧化物，空气
• 分子结构:

  1、 摩尔折射率：44.60

  2、 摩尔体积（m³/mol）：127.7

  3、 等张比容（90.2K）：340.8

  4、 表面张力（dyne/cm）：50.6

  5、 极化率（10 ^-24cm ³）：17.68

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.6

  2.氢键供体数量:1

  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:4

  6.拓扑分子极性表面积37.3

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:149

  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：固体

  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）：59

  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,20ºC）：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

MSDS

Name: 5-Chloro-2-hydroxy-3-methylbenzaldehyde 95+% Material Safety Data Sheet Synonym: CAS: 23602-63-3 Section 1 - Chemical Product MSDS Name:5-Chloro-2-hydroxy-3-methylbenzaldehyde 95+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 23602-63-3 5-Chloro-2-hydroxy-3-methylbenzaldehyd 95+% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Air sensitive.Moisture sensitive. 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 nitrogen. 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# 23602-63-3: 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: tan Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 69 - 70 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: C8H7ClO2 Molecular Weight: 171 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, moisture, exposure to air, contact with water. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 23602-63-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Chloro-2-hydroxy-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 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# 23602-63-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 23602-63-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 23602-63-3 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

毒理学数据: 在眼睛上面：刺激的影响。 在皮肤上面：刺激皮肤和粘膜。 生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2913000090

合成路线

1570-64-5 925-90-6 ~60% 23602-63-3

文献：PHARMACIA CORPRATION Patent: WO2004/60376 A1, 2004 ; Location in patent: Page/Page column 181 ;

50-00-0 1570-64-5 ~61% 23602-63-3

文献：Nagarajan, Srinivasan R.; Devadas, Balekudru; Malecha, James W.; Lu, Hwang-Fun; Ruminski, Peter G.; Rico, Joseph G.; Rogers, Thomas E.; Marrufo, Laura D.; Collins, Joe T.; Kleine, H. Peter; Lantz, Melissa K.; Zhu, Jun; Green, Nawasa F.; Russell, Mark A.; Landis, Bryan H.; Miller, Lawrence M.; Meyer, Debra M.; Duffin, Tiffany D.; Engleman, V. Wayne; Finn, Mary B.; Freeman, Sandra K.; Griggs, David W.; Williams, Melanie L.; Nickols, Maureen A.; Pegg, Jodi A.; Shannon, Kristen E.; Steininger, Christina; Westlin, Marisa M.; Nickols, G. Alan; Keene, Jeffery L. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 11 p. 3783 - 3800

67-66-3 1570-64-5 ~% 23602-63-3

文献：European Journal of Medicinal Chemistry, , vol. 31, # 6 p. 449 - 460

上下游产品

上游产品  4
1570-64-5 925-90-6 50-00-0 67-66-3
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海关

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%