54001-18-2

54001-18-2结构式

常用中文名：4-甲基-2-苯基-1,3-噻唑-5-甲酰氯
常用英文名：4-Methyl-2-phenylthiazole-5-carbonyl chloride
CAS号：54001-18-2
分子式：C₁₁H₈ClNOS
分子量：237.70500
发布时间：2018-12-31 05:07:49
更新时间：2024-01-29 19:50:03

化源商城直购

中文名	4-甲基-2-苯基-1,3-噻唑-5-碳酰氯
英文名	4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride
中文别名	4-甲基-2-苯基-1,3-噻唑-5-羰酰氯
英文别名	MFCD02677709 TD8059 4-Methyl-2-phenyl-thiazole-5-carbonyl chloride 4-methyl-2-phenyl-1,3-thiazole-5-carbonyl-chloride

密度	1.319g/cm3
沸点	371.8ºC at 760mmHg
熔点	122ºC
分子式	C₁₁H₈ClNOS
分子量	237.70500
闪点	178.6ºC
精确质量	237.00200
PSA	58.20000
LogP	3.49750
外观性状	固体
折射率	1.609
储存条件	2-8°C，惰性气体
分子结构	1、摩尔折射率：62.38 2、摩尔体积（cm³/mol）：180.1 3、等张比容（90.2K）：479.4 4、表面张力（dyne/cm）：50.2 5、极化率（10-24cm3）：24.73
计算化学	1.疏水参数计算参考值（XlogP）:3.9 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:2 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:15 8.表面电荷:0 9.复杂度:243 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. 熔点（ºC）：122

Name:	4-Methyl-2-phenyl-1 3-thiazole-5-carbonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS:	54001-18-2

Section 1 - Chemical Product MSDS Name:4-Methyl-2-phenyl-1 3-thiazole-5-carbonyl chloride 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
54001-18-2	4-methyl-2-phenyl-1,3-thiazole-5-carbo		unlisted

Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.Air sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. 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# 54001-18-2: 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: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 122 - 124 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: C11H8ClNOS
Molecular Weight: 238

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:
Strong oxidizing agents, reducing agents, bases, alcohols, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, 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# 54001-18-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 54001-18-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 54001-18-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54001-18-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

危害码 (欧洲)	C
风险声明 (欧洲)	R34
安全声明 (欧洲)	26-36/37/39-45
危险品运输编码	UN 3261
海关编码	2934100090

33763-20-1

54001-18-2

文献：Justus Liebigs Annalen der Chemie, , p. 1195 - 1205

53715-64-3

54001-18-2

文献：Journal of Medicinal Chemistry, , vol. 50, # 4 p. 685 - 695

2227-79-4

54001-18-2

文献：Journal of Medicinal Chemistry, , vol. 50, # 4 p. 685 - 695

上游产品 3
33763-20-1 53715-64-3 2227-79-4
下游产品 4
33763-20-1 69973-67-7 7520-94-7 7520-95-8

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%

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