95453-54-6 (2,4-二甲硫基唑-5-甲醛,2,4-dimethyl-1,3-thiazole-5-carbaldehyde)

快速询单

结构式：

2,4-二甲硫基唑-5-甲醛MOL文件

CAS号：

95453-54-6

中文名称：

2,4-二甲硫基唑-5-甲醛

英文名称：

2,4-dimethyl-1,3-thiazole-5-carbaldehyde

安全信息：

分子式：

C₆H₇NOS

分子量：

141.190880060196

2,4-二甲硫基唑-5-甲醛(95453-54-6)名称与标识符

名称

中文别名：

2,4-二甲基-1,3-噻唑-5-甲醛;2,4-二甲基噻唑-5-甲醛;2,4-二甲硫基唑-5-甲醛;

英文别名：

2,4-Dimethylthiazole-5-carbaldehyde;2,4-Dimethylthiazole-5-carboxaldehyde;2,4-Dimethyl-1,3-thiazole-5-carbaldehyde;2,4-DIMETHYL-1,3-THIAZOLE-5-CARBOXALDEHYDE;5-Thiazolecarboxaldehyde,2,4-dimethyl-;2,4-Dimethyl-5-thiazolecarboxaldehyde (ACI);Benzofuran-2-carboxylic acid;SCHEMBL454739;RS-1020;EN300-81658;C6H7NOS;DTXSID20379922;Z1229669266;MFCD03407320;AKOS007930894;5-Thiazolecarboxaldehyde, 2,4-dimethyl-;J-507247;2,4-dimethylthiazol-5-carboxaldehyde;2,4-Dimethylthiazole-5-carboxaldehyde, 97%;95453-54-6;XAHWXDLKIYXDCK-UHFFFAOYSA-N;2,4-dimethyl-thiazole-5-carboxaldehyde;AC-9368;

标识符

MDL：

MFCD03407320

InChIKey：

XAHWXDLKIYXDCK-UHFFFAOYSA-N

Inchi：

1S/C6H7NOS/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3

SMILES：

O=CC1=C(C)N=C(C)S1

2,4-二甲硫基唑-5-甲醛(95453-54-6)物化性质

实验特性

LogP : 1.57240
PSA : 58.20000
折射率 : 1.588
沸点 : 64 °C
熔点 : 23-27 °C (lit.)
闪点 : 华氏：208.4 °F
摄氏：98 °C
颜色与性状 : 固体
密度 : 1.213

计算特性

精确分子量 : 141.02500
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 141.025
重原子数量 : 9
复杂度 : 118
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.5
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 58.2A^2

2,4-二甲硫基唑-5-甲醛(95453-54-6)安全信息

符号： GHS07
WGK Germany： 3
安全说明： S26-S37/39
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H302-H312-H315-H319-H335
警示性声明：P261-P280-P305+P351+P338
储存条件： Store at room temperature
危险类别码： 20/21/22-36/37/38
信号词： Warning

2,4-二甲硫基唑-5-甲醛(95453-54-6)海关数据

海关编码：

2934100090

海关数据：

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

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%

2,4-二甲硫基唑-5-甲醛(95453-54-6)推荐厂家更多厂家(19)

公司名称	手机号/电话	联系人	QQ	询单
上海楷森生物科技有限公司	17558870519 175-58870519	赵经理	3003926540	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单
湖北健楚生物医药有限公司	13477033894 027-65528557	王经理	3821225285	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
上海依赫生物科技有限公司	17721395025 021-68882955	张经理	2423903095	询单
上海伯倚化工科技有限公司	13621842816 021-54096810	吴先生	86078501	询单

2,4-二甲硫基唑-5-甲醛(95453-54-6)合成路线

合成路线：1 步

50382-32-6

_89%

95453-54-6

反应条件：

1.1 Reagents: Dimethyl sulfoxide , Oxalyl chloride Solvents: Dichloromethane ; -78 °C; 30 min, -78 °C
1.2 Solvents: Dichloromethane ; -78 °C; 3 h, -78 °C
1.3 Reagents: Triethylamine ; 10 min, -78 °C

参考文献：

Inhibitors of protein isoprenyl transferases

, United States, , ,

合成路线：1 步

50382-32-6

_84%

95453-54-6

反应条件：

1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; overnight, rt

参考文献：

Preparation of N-aroyldehydroamino acids as lymphocyte function associated antigen-1 antagonists.

, World Intellectual Property Organization, , ,

合成路线：1 步

7210-77-7

_65%

95453-54-6

反应条件：

1.1 Reagents: Sodium tert-butoxide , Diisobutylaluminum hydride Solvents: Tetrahydrofuran , Hexane ; 0 - 10 °C; 2 h, rt
1.2 Solvents: Tetrahydrofuran ; -30 - -20 °C; 4 h, -20 °C
1.3 Reagents: Water

参考文献：

Preparation of π-electron conjugated fused thiophene derivatives

, Japan, , ,

合成路线：1 步

95453-54-6

参考文献：

Preparation process and effect of benzazepine derivatives as CCR5 antagonists

, World Intellectual Property Organization, , ,

2,4-二甲硫基唑-5-甲醛(95453-54-6) MSDS

基础信息

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