2-溴-1-[2-(4-氯苯基)-4-甲基-1,3-噻唑-5-基]-1-乙酮

2-溴-1-[2-(4-氯苯基)-4-甲基-1,3-噻唑-5-基]-1-乙酮 基本信息
CAS号 54001-36-4 分子式 C12H9BrClNOS
分子量 330.62800 精确质量  328.92800
PSA  58.20000 LogP  4.34950

基本信息 展开↓

CAS号:
54001-36-4
3D弹球模型:
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分子式:
C12H9BrClNOS
分子量:
330.62800
中文名称:
2-溴-1-[2-(4-氯苯基)-4-甲基-1,3-噻唑-5-基]-1-乙酮
英文名称:
2-bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
中文别名:
2-溴-1-[2-(4-氯苯基)-4-甲基-1,3-噻唑-5-基]-1-乙酮
英文别名:
2-bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;
2-bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone;
HMS2596A11;
5-Bromacetyl-2-p-chlorophenyl-4-methylthiazol;
5-bromoacetyl-4-methyl-2-(4'-chlorophenyl)thiazole;
2-bromo-1-[2-(4-chloro-phenyl)-4-methyl-thiazol-5-yl]-ethanone
精确分子量/精确质量:
328.92800
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。
InChI:
The Key: MDZFMZALZSZQSM-UHFFFAOYSA-N

物化性质展开↓

密度:
1.571g/cm3
熔点:
120ºC
沸点:
431.9ºC at 760 mmHg
闪点:
215ºC
折射率:
1.629

安全信息展开↓

海关代码:
2934100090

合成路线查看所有的合成路线

  • 54001-07-9

    1-[2-(4-氯苯基)-4-甲基-1,3-噻唑-5-基]-1-乙酮

  • ~68%

  • 54001-36-4

    2-溴-1-[2-(4-氯苯基)-4-甲基-1,3-噻唑-5-基]-1-乙酮

  • 54001-17-1

    2-(4-氯苯基)-4-甲基-1,3-噻唑-5-羧酸

  • 54001-36-4

    2-溴-1-[2-(4-氯苯基)-4-甲基-1,3-噻唑-5-基]-1-乙酮

  • 54001-12-6

    2-(4-氯苯基)-4-甲基-1,3-噻唑-5-羧酸乙酯

  • 54001-36-4

    2-溴-1-[2-(4-氯苯基)-4-甲基-1,3-噻唑-5-基]-1-乙酮

MSDS 展开↓

Name: 2-Bromo-1-[2-(4-chlorophenyl)-4-methyl-1 3-thiazol-5-yl]-1-ethanone Material Safety Data Sheet
Synonym: None Known
CAS: 54001-36-4
Section 1 - Chemical Product   MSDS Name:2-Bromo-1-[2-(4-chlorophenyl)-4-methyl-1 3-thiazol-5-yl]-1-ethanone Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
54001-36-4 2-Bromo-1-[2-(4-chlorophenyl)-4-methyl 97+ unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Moisture 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:
Chronic exposure may cause effects similar to those of acute exposure.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Vacuum or sweep up material and place into a suitable, dry disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes. Keep from contact with moist air and steam. Use only with adequate ventilation.
Storage:
Keep container closed when not in use. Store protected from moisture. 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# 54001-36-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 119-121 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: C12H9BrClNSO
Molecular Weight: 330.63

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Moisture sensitive.
Conditions to Avoid:
Dust generation, moisture.
Incompatibilities with Other Materials:
Oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 54001-36-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Pseudomonas putida:

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 6 Keep under nitrogen.
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.
WGK (Water Danger/Protection)
CAS# 54001-36-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 54001-36-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54001-36-4 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%

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