129541-43-1 (Ap-5锂,5-Bromo-4-chloro-1H-indol-3-yl Butanoate)

快速询单

结构式：

Ap-5锂MOL文件

CAS号：

129541-43-1

中文名称：

Ap-5锂

英文名称：

5-Bromo-4-chloro-1H-indol-3-yl Butanoate

分子式：

C₁₂H₁₁BrClNO₂

分子量：

316.578241586685

Ap-5锂(129541-43-1)名称与标识符

名称

中文别名：

5-溴-4-氯-3-吲哚丁酸;5-溴-4-氯-3-吲哚基酪酸盐;Ap-5锂;5-溴-4-氯-3-吲哚丁酯;5-溴-4-氯-3-吲哚丁酸 250MG;

英文别名：

5-Bromo-4-chloro-1H-indol-3-yl butyrate;(5-bromo-4-chloro-1H-indol-3-yl)butanoate;5-BROMO-4-CHLORO-(1H-INDOL-3-YL) BUTANOATE;5-BroMo-4-chloro-3-indolyl butyrate;5-Bromo-4-chloro-3-indoxyl butyrate;Bacteria chromogenic substrate-1;Butanoic acid,5-bromo-4-chloro-1H-indol-3-yl ester;X-BUTYRATE;5-BROMO-4-CHLOROINDOXYLBUTYRATE;5-Bromo-4-chloro-(1H-indol-3-yl) butyrate;5-Bromo-4-chloro-3-indoxyl butyrateX-Butyrate;Butanoic acid, 5-broMo-4-chloro-1H-indol-3-yl ester;5-Bromo-4-chloro-3-indolyl butyrate, >=99%;SCHEMBL1614924;(5-bromo-4-chloro-1H-indol-3-yl) butanoate;FT-0620121;AS-68946;5-bromo-4-chloro-1H-indol-3-yl butanoate;DTXSID00350895;B-7050;HY-78639;129541-43-1;A888844;H10237;CS-M2349;AMY41486;MFCD00083261;AKOS022180540;PD078545;

标识符

MDL：

MFCD00083261

InChIKey：

UKTKOBRRRRODGL-UHFFFAOYSA-N

Inchi：

1S/C12H11BrClNO2/c1-2-3-10(16)17-9-6-15-8-5-4-7(13)12(14)11(8)9/h4-6,15H,2-3H2,1H3

SMILES：

BrC1C=CC2=C(C=1Cl)C(=CN2)OC(CCC)=O

Ap-5锂(129541-43-1)物化性质

实验特性

LogP : 4.28930
PSA : 42.09000
熔点 : 91-93 °C
颜色与性状 : 白色粉末
溶解性 : 不溶于水

计算特性

精确分子量 : 314.96600
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 4
同位素质量 : 314.96617g/mol
重原子数量 : 17
复杂度 : 290
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） : 3.9
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 42.1Å²

Ap-5锂(129541-43-1)安全信息

Ap-5锂(129541-43-1)海关数据

海关编码：

2933990090

海关数据：

中国海关编码：

2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ap-5锂(129541-43-1)推荐厂家更多厂家(19)

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深圳市金赛途生物科技有限公司	13302967066 0755-23251735	周勇	2370561481	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单

Ap-5锂(129541-43-1) MSDS

基础信息

Name:	5-Bromo-4-chloro-3-indoxyl butyrate Material Safety Data Sheet
Synonym:	X-Butyrat
CAS:	129541-43-1

Section 1 - Chemical Product ? MSDS Name:5-Bromo-4-chloro-3-indoxyl butyrate Material Safety Data Sheet
Synonym:X-Butyrat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
129541-43-1	5-Bromo-4-chloro-3-indoxyl butyrate		unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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 tightly closed container. Deep freeze (below -20C).
Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 129541-43-1: 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: Powder
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 91 - 93 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C12H11BrClNO2
Molecular Weight: 316.59

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, exposure to air.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 129541-43-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Bromo-4-chloro-3-indoxyl butyrate - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 129541-43-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 129541-43-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 129541-43-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A