2,4-二甲基-1,3-噻唑-5-甲醛

2,4-二甲基-1,3-噻唑-5-甲醛 基本信息
CAS号 95453-54-6 分子式 C6H7NOS
分子量 141.19100 精确质量  141.02500
PSA  58.20000 LogP  1.57240

基本信息 展开↓

CAS号:
95453-54-6
分子式:
C6H7NOS
分子量:
141.19100
中文名称:
2,4-二甲基-1,3-噻唑-5-甲醛
英文名称:
2,4-Dimethylthiazole-5-carbaldehyde
中文别名:
2,4-二甲基-1,3-噻唑-5-甲醛;
2,4-二甲硫基唑-5-甲醛
英文别名:
2,4-Dimethylthiazole-5-carbaldehyde;
2,4-dimethyl-1,3-thiazole-5-carbaldehyde
精确分子量/精确质量:
141.02500
极性分子表面积/PSA:
58.20000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD03407320
PubChem:
24883427
InChI:
InChI=1/C6H7NOS/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3

物化性质展开↓

密度:
1.213g/cm3
熔点:
23-27ºC(lit.)
沸点:
64ºC
闪点:
98.3ºC
折射率:
1.588
存储条件/存储方法:

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

稳定性相关:

常温常压下稳定

避免接触氧化剂

其它信息:

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

安全信息展开↓

海关代码:
2934100090
危险类别码:
R36/37/38
安全说明:
S26-S37/39
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 50382-32-6

    2,4-二甲基噻唑-5-甲醇

  • +

  • 79-37-8

    草酰氯

  • ~87%

  • 95453-54-6

    2,4-二甲基-1,3-噻唑-5-甲醛

  • 7210-77-7

    2,4-二甲基噻唑-5-羧酸乙酯

  • 95453-54-6

    2,4-二甲基-1,3-噻唑-5-甲醛

  • 50382-32-6

    2,4-二甲基噻唑-5-甲醇

  • 95453-54-6

    2,4-二甲基-1,3-噻唑-5-甲醛

MSDS 展开↓

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

海关数据查看详细

中国海关编码:2934100090

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
摘要/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%

分子结构与计算化学数据展开↓

分子结构数据


五、分子性质数据:

1、   摩尔折射率:39.13

2、   摩尔体积m3/mol116.3

3、   等张比容90.2K304.9

4、   表面张力dyne/cm):47.1

5、   介电常数:无可用的

6、   偶极距10-24cm3:无可用的

7、   极化率:15.51

计算化学数据


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

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  • 50382-32-6

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  • 7210-77-7

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