4-甲基-2-苯基-1,3-噻唑-5-碳酰氯

4-甲基-2-苯基-1,3-噻唑-5-碳酰氯 基本信息
CAS号 54001-18-2 分子式 C11H8ClNOS
分子量 237.70500 精确质量  237.00200
PSA  58.20000 LogP  3.49750

基本信息 展开↓

CAS号:
54001-18-2
3D弹球模型:
立即前往扯扯看
分子式:
C11H8ClNOS
分子量:
237.70500
中文名称:
4-甲基-2-苯基-1,3-噻唑-5-碳酰氯
英文名称:
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-碳酰氯;
4-甲基-2-苯基-1,3-噻唑-5-羰酰氯
英文别名:
4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBONYL CHLORIDE;
4-methyl-2-phenyl-1,3-thiazole-5-carbonyl-chloride;
4-Methyl-2-phenyl-thiazole-5-carbonyl chloride;
TD8059
精确分子量/精确质量:
237.00200
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:
MFCD02677709
InChI:
InChI=1/C11H8ClNOS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3

物化性质展开↓

密度:
1.319g/cm3
熔点:
122ºC
沸点:
371.8ºC at 760mmHg
闪点:
178.6ºC
折射率:
1.609
其它信息:

1.    熔点(ºC):122

安全信息展开↓

海关代码:
2934100090
危险类别码:
R34
安全说明:
26-36/37/39-45
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:

合成路线查看所有的合成路线

  • 2227-79-4

    硫代苯甲酰胺

  • 54001-18-2

    4-甲基-2-苯基-1,3-噻唑-5-碳酰氯

  • 53715-64-3

    4-甲基-2-苯基-1,3-噻唑-5-甲酸乙酯

  • 54001-18-2

    4-甲基-2-苯基-1,3-噻唑-5-碳酰氯

  • 33763-20-1

    4-甲基-2-苯基噻唑-5-羧酸

  • 54001-18-2

    4-甲基-2-苯基-1,3-噻唑-5-碳酰氯

MSDS 展开↓

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

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


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

计算化学数据


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

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