175203-84-6 (泛昔洛韦相关物质C,5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid)

快速询单

结构式：

泛昔洛韦相关物质CMOL文件

CAS号：

175203-84-6

中文名称：

泛昔洛韦相关物质C

英文名称：

5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid

分子式：

C₁₀H₆F₃NO₃

分子量：

245.15475320816

泛昔洛韦相关物质C(175203-84-6)名称与标识符

名称

中文别名：

5-(三氟甲氧基)吲哚-2-羧酸;泛昔洛韦相关物质C;

英文别名：

5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid;1H-Indole-2-carboxylic acid, 5-(trifluoromethoxy)-;5-(Trifluoromethoxy)indole-2-carboxylic acid;5-[(trifluoromethyl)oxy]-1H-indole-2-carboxylic acid;5-trifluoromethoxy-1H-indole-2-carboxylic acid;7-trifluoromethoxyindole-2-carboxylic acids;HMS555F14;BUTTPARK 30\04-70;2-Carboxy-5-(trifluoromethoxy)-1H-indole;5-(Trifluoromethoxy)indole-2-caroxylic acid;5-(Trifluoromethoxy)-1H-indole-2-carboxylicacid97%;5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid 97%;W-206207;Maybridge1_004876;ALBB-034276;CS-0080625;DB-044118;AKOS015852964;SCHEMBL2931171;D74232;5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid, AldrichCPR;DTXSID40380454;BP-11255;175203-84-6;CCG-246342;FS-1178;MFCD00276997;XH1198;

标识符

MDL：

MFCD00276997

InChIKey：

DJJJSHFPEISHFN-UHFFFAOYSA-N

Inchi：

1S/C10H6F3NO3/c11-10(12,13)17-6-1-2-7-5(3-6)4-8(14-7)9(15)16/h1-4,14H,(H,15,16)

SMILES：

FC(OC1C=CC2=C(C=1)C=C(C(=O)O)N2)(F)F

泛昔洛韦相关物质C(175203-84-6)物化性质

实验特性

LogP : 2.76470
PSA : 62.32000
沸点 : 369.4±42.0 °C at 760 mmHg
熔点 : 204 °C
蒸气压 : 0.0±0.9 mmHg at 25°C
闪点 : 177.2±27.9 °C
颜色与性状 : 未确定
溶解性 : 未确定
密度 : 1.6±0.1 g/cm3

计算特性

精确分子量 : 245.03000
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 3
同位素质量 : 245.02997754g/mol
重原子数量 : 17
复杂度 : 308
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） : 无
互变异构体数量 : 5
表面电荷 : 0
拓扑分子极性表面积 : 62.3Å²

泛昔洛韦相关物质C(175203-84-6)安全信息

安全术语： S22-36/37/39
安全说明： S22-S36/37/39
风险术语： R20/21/22
危险品标志： Xi
危害声明：Irritant
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
危险类别码： 20/21/22-36/37/38-25
信号词： warning

泛昔洛韦相关物质C(175203-84-6)国际标准相关数据

EINECS：

泛昔洛韦相关物质C(175203-84-6)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%

泛昔洛韦相关物质C(175203-84-6)推荐厂家更多厂家(13)

公司名称	手机号/电话	联系人	QQ	询单
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南兴化工（江苏）有限公司	18651116180 0512-66387035	闵慧萍	3771156959	询单
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上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单

泛昔洛韦相关物质C(175203-84-6)参考资料

Reaxys RN：

PubChem CID：

2777290

泛昔洛韦相关物质C(175203-84-6) MSDS

基础信息

Name:	5-(Trifluoromethoxy)-1h-indole-2-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:	175203-84-6

Section 1 - Chemical Product ? MSDS Name:5-(Trifluoromethoxy)-1h-indole-2-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175203-84-6	5-(Trifluoromethoxy)-1H-indole-2-carbo	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# 175203-84-6: 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: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 199 - 201 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: C10H6F3NO3
Molecular Weight: 245

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, reducing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 175203-84-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid - 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# 175203-84-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175203-84-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175203-84-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A