944-43-4 (4-氨基-2,3,5,6-四氟苯甲酸,4-Amino-2,3,5,6-tetrafluorobenzoic acid)

快速询单

结构式：

4-氨基-2,3,5,6-四氟苯甲酸MOL文件

CAS号：

944-43-4

中文名称：

4-氨基-2,3,5,6-四氟苯甲酸

英文名称：

4-Amino-2,3,5,6-tetrafluorobenzoic acid

安全信息：

分子式：

C₇H₃F₄NO₂

分子量：

209.09783577919

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)名称与标识符

名称

中文别名：

4-氨基-2,3,5,6-四氟苯甲酸;4-Amino-2,3,5,6-tetrafluorobenzoic Acid 4-氨基-2,3,5,6-四氟苯甲酸;

英文别名：

4-Amino-2,3,5,6-tetrafluorobenzoic acid;WTNSXWSOTDBWOR-UHFFFAOYSA-N;2,3,5,6-Tetrafluoro-4-aminobenzoic acid;NSC98742;4-AMINO-2,3,5,6-TETRAFLUOROBENZOICACID;SBB094145;PC1098;FCH1322646;AX8004092;4-amino-2,3,5,6-tetrafluoro-benzoic acid;2,3,5,6-Tetrafluoro-4-amino-benzoic acid;S;4-Amino-2,3,5,6-tetrafluorobenzoic acid (ACI);4-Aminotetrafluorobenzoic acid;NSC 98742;BP-31067;A0987;944-43-4;Benzoic acid,4-amino-2,3,5,6-tetrafluoro-;SP4N3VPW4V;AKOS005257870;NSC-98742;C13380;CS-0201668;SY050210;SB78329;FS-4507;Benzoic acid, 4-amino-2,3,5,6-tetrafluoro-;4-Carboxy-2,3,5,6-tetrafluoroaniline;4-Amino-2,3,5,6-tetrafluorobenzoic acid, 99%;DTXCID90163956;EINECS 213-409-6;4-amino -2,3,5,6-tetrafluoro-benzoic acid;DB-057501;DTXSID90241465;4-Amino-2 pound not3 pound not5 pound not6-tetrafluorobenzoic acid;SCHEMBL506102;NS00042824;MFCD00007647;

标识符

MDL：

MFCD00007647

InChIKey：

WTNSXWSOTDBWOR-UHFFFAOYSA-N

Inchi：

1S/C7H3F4NO2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H2,(H,13,14)

SMILES：

O=C(C1C(F)=C(F)C(N)=C(F)C=1F)O

BRN：

2121117

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)物化性质

实验特性

LogP : 2.10460
PSA : 63.32000
水溶性 : Insoluble in water. Soluble in methanol (25 mg/ml).
熔点 : 185-187 °C (lit.)
颜色与性状 : 未确定
溶解性 : 未确定

计算特性

精确分子量 : 209.01000
氢键供体数量 : 2
氢键受体数量 : 7
可旋转化学键数量 : 1
同位素质量 : 209.00999099g/mol
重原子数量 : 14
复杂度 : 224
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） : 1.2
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 63.3

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)安全信息

符号： GHS07
WGK Germany： 3
安全说明： S26-S37/39
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H315-H319
警示性声明：P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
提示语：警告
危险类别码： 36/37/38
信号词： Warning
HazardClass： IRRITANT

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)国际标准相关数据

EINECS：

213-409-6

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)海关数据

海关编码：

2922499990

海关数据：

中国海关编码：

2922499990

概述：

2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件：

A.入境货物通关单
B.出境货物通关单

检验检疫类别：

P.进境动植物、动植物产品检疫
Q.出境动植物、动植物产品检疫
R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary：

HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)推荐厂家更多厂家(21)

公司名称	手机号/电话	联系人	QQ	询单
湖北信康医药化工有限公司	13476235517 13476235517	杨彩云	1438280055	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
湖北信康药化有限公司化学研究所	18827031272 027-59308705	张欢	1438980011	询单
湖北巨胜科技有限公司	18871490354	王珊	1400848866	询单
湖北万得化工有限公司	15827180502 027-59210159	陈丹丹	1148980033	询单
巨胜化学研究院	18064118002 027-59599240	陈盼	1400838822	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)合成路线

合成路线：1 步

950-68-5

_88%

944-43-4

反应条件：

1.1 Reagents: Potassium hydroxide Solvents: Ethanol ; rt; 12 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1, rt

参考文献：

Extending the series of p-substituted tetrafluorobenzoic acids: synthesis, properties and structure

Zaitsev, Kirill V.; Oprunenko, Yuri F.; Lermontova, Elmira Kh.; Churakov, Andrei V., Journal of Fluorine Chemistry, 2017, 197, 49-58

合成路线：1 步

122590-77-6

_68%

944-43-4

反应条件：

1.1 Reagents: Sodium ascorbate , Copper sulfate Solvents: Tetrahydrofuran , Water ; 22 h, 70 °C

参考文献：

Synthesis of bitriazolyl nucleosides and unexpectedly different reactivity of azidotriazole nucleoside isomers in the Huisgen reaction

Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; et al, Organic & Biomolecular Chemistry, 2007, 5(11), 1695-1701

合成路线：1 步

700-17-4

124-38-9

_37%

944-43-4

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran

参考文献：

Heteroatom-facilitated lithiations

Gschwend, Heinz W.; Rodriguez, Herman R., Organic Reactions (Hoboken, 1979, 26,

合成路线：1 步

944-43-4

参考文献：

Design and synthesis of peptide conjugates of phosphoramide mustard as prodrugs activated by prostate-specific antigen

Wu, Xinghua; Hu, Longqin, Bioorganic & Medicinal Chemistry, 2016, 24(12), 2697-2706

合成路线：1 步

944-43-4

参考文献：

Fenbufen derivatives for cancer treatment

, Taiwan, , ,

合成路线：1 步

944-43-4

参考文献：

Amino-substituted phenyl and heteroaryl compounds and pharmaceutical compositions containing them

, European Patent Organization, , ,

合成路线：1 步

944-43-4

参考文献：

4-Substituted-2,3,5,6-tetrafluoronitrosobenzene

, United States, , ,

合成路线：1 步

反应条件：

1.1 Reagents: D-Cysteine Solvents: Water ; pH 9, rt

参考文献：

Anilide Formation from Thioacids and Perfluoroaryl Azides

Xie, Sheng; Fukumoto, Ryo; Ramstroem, Olof; Yan, Mingdi, Journal of Organic Chemistry, 2015, 80(9), 4392-4397

合成路线：1 步

参考文献：

Descriptive photochemistry of polyfluorinated azide derivatives of methyl benzoate

Soundararajan, N.; Platz, Matthew S., Journal of Organic Chemistry, 1990, 55(7), 2034-44

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)上下游

4-叠氮基-2,3,5,6-四氟苄酸

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)相关文献

1. Pt monolayer deposition onto carbon nanotube mattes with high electrochemical activity
Xin Su,Xin Zhan,Bruce J. Hinds J. Mater. Chem. 2012 22 7979
2. Can solvated intermediates inform us about nucleation pathways? The case of β-pABA
A. J. Cruz-Cabeza,E. Taylor,I. J. Sugden,D. H. Bowskill,S. E. Wright,H. Abdullahi,D. Tulegenov,G. Sadiq,R. J. Davey CrystEngComm 2020 22 7447
3. 1178. Aromatic polyfluoro-compounds. Part XXIX. Nucleophilic replacement reactions of pentafluorobenzoic acid
J. Burdon,W. B. Hollyhead,J. C. Tatlow J. Chem. Soc. 1965 6336

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4)参考资料

Reaxys RN：

2121117

Beilstein：

A151459

PubChem CID：

87562483

4-氨基-2,3,5,6-四氟苯甲酸(944-43-4) MSDS

基础信息

Name:	4-Amino-2 3 5 6-tetrafluorobenzoic acid 9 9% Material Safety Data Sheet
Synonym:
CAS:	944-43-4

Section 1 - Chemical Product ? MSDS Name:4-Amino-2 3 5 6-tetrafluorobenzoic acid 9 9% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
944-43-4	4-Amino-2,3,5,6-tetrafluorobenzoic aci	99%	213-409-6

Hazard Symbols: Not available.
Risk Phrases:

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

Section 4 - FIRST AID MEASURES
? Eyes: Not available.
Skin:
Not available.
Ingestion:
Not available.
Inhalation:
Not available.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
Not available.
Extinguishing Media:
Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Not available.

Section 7 - HANDLING and STORAGE
? Handling:
Not available.
Storage:
Not available.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Personal Protective Equipment Eyes: Not available.
Skin:
Not available.
Clothing:
Not available.
Respirators:
Not available.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Not available.
Appearance: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Vapor Density: Not available.
Evaporation Rate: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Decomposition Temperature: Not available.
Solubility: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: Not available.
Molecular Weight: Not available.

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 944-43-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Amino-2,3,5,6-tetrafluorobenzoic acid - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
? For further information, contact Fisher Scientific.

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
CDG/CPL
IMO
Not regulated as a hazardous material.
IATA
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Canadian TDG
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 944-43-4:
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 944-43-4 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 944-43-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A