95453-54-6

• 常用中文名：2,4-二甲基-1,3-噻唑-5-甲醛
• 常用英文名：2,4-Dimethyl-1,3-thiazole-5-carbaldehyde
• CAS号：95453-54-6
• 分子式：C₆H₇NOS
• 分子量：141.191
• 发布时间：2019-02-16 16:20:47
• 更新时间：2024-01-02 13:16:50
• 下载msds

名称

• 中文名: 2,4-二甲基-1,3-噻唑-5-甲醛
• 英文名: 2,4-Dimethylthiazole-5-carbaldehyde
• 中文别名: 2,4-二甲硫基唑-5-甲醛
• 英文别名: 5-Thiazolecarboxaldehyde, 2,4-dimethyl-; 2,4-Dimethyl-1,3-thiazole-5-carbaldehyde; MFCD03407320

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 238.9±20.0 °C at 760 mmHg
• 熔点: 23-27ºC(lit.)
• 分子式: C₆H₇NOS
• 分子量: 141.191
• 闪点: 98.3±21.8 °C
• 精确质量: 141.024841
• PSA: 58.20000
• LogP: 0.98
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.588
• 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:

  常温常压下稳定

  避免接触氧化剂
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：39.13

  2、 摩尔体积（m³/mol）：116.3

  3、 等张比容（90.2K）：304.9

  4、 表面张力（dyne/cm）：47.1

  5、 介电常数：无可用的

  6、 偶极距（10 ^-24cm ³）：无可用的

  7、 极化率：15.51

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.5

  2.氢键供体数量:0

  3.氢键受体数量:3

  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58.2

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:118

  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 25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC常压）：23-27

  5. 沸点（ºC）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºC，）：98

  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（25℃）：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(mg/mL) ：未确定

MSDS

Name: 2 4-Dimethyl-1 3-thiazole-5-carbaldehyde 97% Material Safety Data Sheet Synonym: CAS: 95453-54-6 Section 1 - Chemical Product MSDS Name:2 4-Dimethyl-1 3-thiazole-5-carbaldehyde 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 95453-54-6 2,4-Dimethyl-1,3-thiazole-5-carbaldehy 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 95453-54-6: 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: Oil Color: brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C6H7NOS Molecular Weight: 141.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 95453-54-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,4-Dimethyl-1,3-thiazole-5-carbaldehyde - 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# 95453-54-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 95453-54-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 95453-54-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H312-H315-H319-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 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
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2934100090

合成路线

50382-32-6 79-37-8 ~87% 95453-54-6

文献：University of Pittsburgh Patent: US6204293 B1, 2001 ;

50382-32-6 ~% 95453-54-6

文献：EP1186604 A1, ; Page 132 ; EP 1186604 A1

7210-77-7 ~% 95453-54-6

文献：EP1186604 A1, ; EP 1186604 A1

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海关

海关编码	2934100090
中文概述	2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 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
Summary	2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%