20834-61-1

• 常用中文名：2-溴-4,6-二-叔-丁基苯酚
• 常用英文名：2-BROMO-4,6-DI-TERT-BUTYLPHENOL
• CAS号：20834-61-1
• 分子式：C₁₄H₂₁BrO
• 分子量：285.22000
• 相关类别： 化学试剂 有机试剂 芳烃
• 发布时间：2018-11-24 11:56:36
• 更新时间：2024-01-04 10:32:24

名称

• 中文名: 2-溴-4,6-二-叔-丁基苯酚
• 英文名: 2-bromo-4,6-ditert-butylphenol
• 中文别名: 2-溴-4,6-二叔丁基苯酚
• 英文别名: 2-Bromo-4,6-di-t-butylphenol; 2-Bromo-4,6-di-tert-butylphenol; 6-bromo-2,4-di-tert-butylphenol; MFCD00051597; 2,4-di-tert-butyl-6-bromophenol

物化性质

• 密度: 1.201g/cm3
• 沸点: 269.8ºC at 760 mmHg
• 熔点: 56 °C
• 分子式: C₁₄H₂₁BrO
• 分子量: 285.22000
• 闪点: 117ºC
• 精确质量: 284.07800
• PSA: 20.23000
• LogP: 4.74970
• 外观性状: 浅黄色至黄色固体
• 蒸汽压: 0.00429mmHg at 25°C
• 折射率: 1.523
• 储存条件:

  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
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：72.59

  2、 摩尔体积(m³/mol)：237.4

  3、 等张比容(90.2K)：568.8

  4、 表面张力(dyne/cm)：32.9

  5、 极化率(10-24cm³)：28.78

• 计算化学:

  1.疏水参数计算参考值（XlogP）:5.6

  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:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积20.2

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:236

  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）：55-57

  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

MSDS

Name: 2-Bromo-4 6-di-tert-butylphenol 97% Material Safety Data Sheet Synonym: CAS: 20834-61-1 Section 1 - Chemical Product MSDS Name:2-Bromo-4 6-di-tert-butylphenol 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 20834-61-1 2-Bromo-4,6-di-tert-butylphenol 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# 20834-61-1: 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: 50 - 53 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: C14H21BrO Molecular Weight: 285 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acid chlorides, bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 20834-61-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Bromo-4,6-di-tert-butylphenol - 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# 20834-61-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 20834-61-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 20834-61-1 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

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): T
• 风险声明 (欧洲): R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .
• 安全声明 (欧洲): S22-S26-S36/37/39-S45
• 危险品运输编码: 2811
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2908199090

合成路线

96-76-4 ~95% 20834-61-1

文献：Journal of Organic Chemistry, , vol. 70, # 11 p. 4267 - 4271

732-26-3 ~20% 20834-61-1

文献：Russian Chemical Bulletin, , vol. 45, # 5 p. 1249 - 1251

1988-75-6 ~% 732-26-3 20834-61-1

文献：Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 38, # 1.2 p. 124 - 126 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , vol. 38, # 1 p. 137 - 140

1988-75-6 ~% 732-26-3 1139-52-2 20834-61-1

文献：Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 38, # 1.2 p. 124 - 126 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , vol. 38, # 1 p. 137 - 140

732-26-3 7726-95-6 ~% 20834-61-1

文献：Chemische Berichte, , vol. 87, p. 1605,1610

海关

海关编码	2908199090
中文概述	HS:2908199090 其他酚及酚醇的仅含卤素取代基的衍生物及其盐 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: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%