22098-10-8 (5-溴噻吩-2-基)(氧代)乙酸乙酯,5-Bromothiophene 2-Oxoacetic Acid Ethyl Ester)

快速询单

结构式：

5-溴噻吩-2-基)(氧代)乙酸乙酯MOL文件

CAS号：

22098-10-8

中文名称：

5-溴噻吩-2-基)(氧代)乙酸乙酯

英文名称：

5-Bromothiophene 2-Oxoacetic Acid Ethyl Ester

分子式：

C₈H₇BrO₃S

分子量：

263.108380556107

5-溴噻吩-2-基)(氧代)乙酸乙酯(22098-10-8)名称与标识符

名称

中文别名：

2-(5-溴-2-噻吩)-2-氧代乙酸乙酯;5-溴噻吩-2-基)(氧代)乙酸乙酯;

英文别名：

Ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate;2-Thiopheneacetic acid,5-bromo-a-oxo-, ethyl ester;5-Bromothiophene 2-Oxoacetic Acid Ethyl Ester;Ethyl (5-bromothien-2-yl)glyoxylate;Ethyl 2-(5-bromo-2-thienyl)-2-oxoacetate;Ethyl 5-bromothiophene-2-glyoxylate;(5-bromo-thiophen-2-yl)-oxo-acetic acid ethyl ester;ethyl (5-bromo-2-thienyl)glyoxylate;ethyl (5-bromo-thien-2-yl)glyoxylate;ethyl 2-(5-bromothien-2-yl)-2-oxoacetate;ethyl 2-(5-bromothienyl)glyoxalate;DTXSID30371316;FT-0625873;2-BROMO-5-[ETHOXY(OXO)ACETYL]THIOPHENE;SY211194;PS-5810;(5-Bromothiophen-2-yl)-oxo-acetic acid ethyl ester;MFCD00085056;AKOS009158899;Ethyl(5-bromothien-2-yl)glyoxylate;W-206731;ethyl 2-(5-bromothien-2-yl)glyoxalate;Ethyl (5-bromothiophen-2-yl)(oxo)acetate;PMBGHMBDWGNJJE-UHFFFAOYSA-N;XAA09810;A815917;CS-0061534;EN300-366099;22098-10-8;SCHEMBL1164276;DB-045790;

标识符

MDL：

MFCD00085056

InChIKey：

PMBGHMBDWGNJJE-UHFFFAOYSA-N

Inchi：

1S/C8H7BrO3S/c1-2-12-8(11)7(10)5-3-4-6(9)13-5/h3-4H,2H2,1H3

SMILES：

BrC1=CC=C(C(C(=O)OCC)=O)S1

5-溴噻吩-2-基)(氧代)乙酸乙酯(22098-10-8)物化性质

实验特性

LogP : 2.25640
PSA : 71.61000
折射率 : 1.568
沸点 : 325°Cat760mmHg
熔点 : 70-72
闪点 : 150.3°C
密度 : 1.612

计算特性

精确分子量 : 261.93000
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 4
同位素质量 : 261.93
重原子数量 : 13
复杂度 : 219
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） : 2.8
拓扑分子极性表面积 : 71.6Å²

5-溴噻吩-2-基)(氧代)乙酸乙酯(22098-10-8)安全信息

5-溴噻吩-2-基)(氧代)乙酸乙酯(22098-10-8)海关数据

海关编码：

2934999090

海关数据：

中国海关编码：

2934999090

概述：

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 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：

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-溴噻吩-2-基)(氧代)乙酸乙酯(22098-10-8)推荐厂家更多厂家(10)

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5-溴噻吩-2-基)(氧代)乙酸乙酯(22098-10-8)上下游

2-溴噻吩草酰氯单乙酯

5-溴噻吩-2-基)(氧代)乙酸乙酯(22098-10-8) MSDS

基础信息

Name:	Ethyl 2-(5-bromo-2-thienyl)-2-oxoacetate 97% Material Safety Data Sheet
Synonym:	Ethyl 2-(5-bromothien-2-yl)glyoxylat
CAS:	22098-10-8

Section 1 - Chemical Product ? MSDS Name:Ethyl 2-(5-bromo-2-thienyl)-2-oxoacetate 97% Material Safety Data Sheet
Synonym:Ethyl 2-(5-bromothien-2-yl)glyoxylat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
22098-10-8	Ethyl 2-(5-bromo-2-thienyl)-2-oxoaceta	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:
Vacuum or sweep up material and place into a suitable disposal 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.

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# 22098-10-8: 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: yellow - dark brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 50 - 52 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: C8H7BrO3S
Molecular Weight: 263

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 22098-10-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-(5-bromo-2-thienyl)-2-oxoacetate - 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# 22098-10-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22098-10-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22098-10-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A