5400-81-7 (4-氨基-3,5-二碘苯甲酸乙酯,Ethyl 4-Amino-3,5-diiodobenzoate)

快速询单

结构式：

4-氨基-3,5-二碘苯甲酸乙酯MOL文件

CAS号：

5400-81-7

中文名称：

4-氨基-3,5-二碘苯甲酸乙酯

英文名称：

Ethyl 4-Amino-3,5-diiodobenzoate

分子式：

C₉H₉I₂NO₂

分子量：

416.98220705986

4-氨基-3,5-二碘苯甲酸乙酯(5400-81-7)名称与标识符

名称

中文别名：

4-氨基-3,5-二碘苯甲酸乙酯;

英文别名：

Benzoic acid,4-amino-3,5-diiodo-, ethyl ester;ETHYL 4-AMINO-3,5-DIIODOBENZOATE;ETHYL-3 5-DIIODO-4-AMINOBENZOATE;4-amino-3,5-diiodo-benzoic acid ethyl ester;4-Amino-3,5-dijod-benzoesaeure-aethylester;ethyl 4-amino-3.5-diiodobenzoate;ETHYL4-AMINO-3,5-DIIODOBENZOATE;4-Amino-3,5-diiodobenzoic acid, ethyl ester;SCHEMBL651934;ethyl 4-amino-3,5-diiodo-benzoate;NSC10390;AB10376;3,5-diiodo-4-amino-benzoic acid ethyl ester;EN300-8679937;NSC-10390;CS-0298915;5400-81-7;FT-0626072;AKOS001720757;SR-01000089689;AS-9164;MFCD00017092;NSC 10390;DTXSID10278874;SR-01000089689-1;AG-205/15424406;STK751098;

标识符

MDL：

MFCD00017092

InChIKey：

IFLWBYIITJOICR-UHFFFAOYSA-N

Inchi：

1S/C9H9I2NO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3

SMILES：

IC1C(=C(C=C(C(=O)OCC)C=1)I)N

4-氨基-3,5-二碘苯甲酸乙酯(5400-81-7)物化性质

实验特性

LogP : 3.23590
PSA : 52.32000
折射率 : 1.689
沸点 : 449.1°Cat760mmHg
熔点 : 148℃
闪点 : 225.4°C
密度 : 2.191

计算特性

精确分子量 : 416.87200
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 416.872
重原子数量 : 14
复杂度 : 201
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 : 52.3A^2

4-氨基-3,5-二碘苯甲酸乙酯(5400-81-7)安全信息

安全术语： S26;S37/39
安全说明： S26-S37/39
风险术语： R36/37/38
危险品标志： Xi

4-氨基-3,5-二碘苯甲酸乙酯(5400-81-7)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-3,5-二碘苯甲酸乙酯(5400-81-7)推荐厂家更多厂家(2)

公司名称	手机号/电话	联系人	QQ	微信	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220		询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232		询单

4-氨基-3,5-二碘苯甲酸乙酯(5400-81-7)相关文献

1. Direct preparation of polyfunctional amino-substituted arylmagnesium reagents via an iodine–magnesium exchange reaction
Greta Varchi,Christiane Kofink,David M. Lindsay,Alfredo Ricci,Paul Knochel Chem. Commun. 2003 396

4-氨基-3,5-二碘苯甲酸乙酯(5400-81-7) MSDS

基础信息

Name:	Ethyl 4-amino-3 5-diiodobenzoate tech Material Safety Data Sheet
Synonym:
CAS:	5400-81-7

Section 1 - Chemical Product ? MSDS Name:Ethyl 4-amino-3 5-diiodobenzoate tech Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5400-81-7	Ethyl 4-Amino-3,5-diiodobenzoate		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. Do not store in direct sunlight. 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# 5400-81-7: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 148 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: C9H9I2NO2
Molecular Weight: 417

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Bases, strong oxidizing agents, acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen iodide, iodine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 5400-81-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-Amino-3,5-diiodobenzoate - 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# 5400-81-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5400-81-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5400-81-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A