87223-76-5 (N-(2-氰基苯基)甘氨酸乙酯,Ethyl 2-(2-cyanoanilino)acetate)

快速询单

结构式：

N-(2-氰基苯基)甘氨酸乙酯MOL文件

CAS号：

87223-76-5

中文名称：

N-(2-氰基苯基)甘氨酸乙酯

英文名称：

Ethyl 2-(2-cyanoanilino)acetate

分子式：

C₁₁H₁₂N₂O₂

分子量：

204.225182533264

N-(2-氰基苯基)甘氨酸乙酯(87223-76-5)名称与标识符

名称

中文别名：

2-(2-氰基苯胺基)-乙酸乙酯;N-(2-氰基苯基)甘氨酸乙酯;

英文别名：

Ethyl 2-((2-cyanophenyl)amino)acetate;Ethyl 2-(2-Cyanoanilino)acetate;Glycine,N-(2-cyanophenyl)-, ethyl ester;N-(2-cyanophenyl)Glycine ethyl ester;ethyl 2-[(2-cyanophenyl)amino]acetate;Glycine, N-(2-cyanophenyl)-, ethyl ester;Bionet2_000234;Oprea1_553277;Ethyl2-(2-Cyanoanilino)acetate;SAHHQUFVDZOAEH-UHFFFAOYSA-N;HMS1364K14;SBB093319;1184AF;ETHYL (2-CYANOANILINO)ACETATE;TRA0060007;SY004376;Glycine,N-(2-cyanoph;N-(2-Cyanophenyl)glycine ethyl ester (ACI);(2-Cyanophenylamino)acetic acid ethyl ester;

标识符

MDL：

MFCD00141059

InChIKey：

SAHHQUFVDZOAEH-UHFFFAOYSA-N

Inchi：

1S/C11H12N2O2/c1-2-15-11(14)8-13-10-6-4-3-5-9(10)7-12/h3-6,13H,2,8H2,1H3

SMILES：

N#CC1C(NCC(OCC)=O)=CC=CC=1

N-(2-氰基苯基)甘氨酸乙酯(87223-76-5)物化性质

实验特性

LogP : 1.60628
PSA : 62.12000
熔点 : 95-96°C
闪点 : 166.1℃

计算特性

精确分子量 : 204.09000
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 5
重原子数量 : 15
复杂度 : 257
拓扑分子极性表面积 : 62.1

N-(2-氰基苯基)甘氨酸乙酯(87223-76-5)安全信息

安全说明： S36/37
风险术语： R20/21/22
危险品标志： Xn
HazardClass： IRRITANT

N-(2-氰基苯基)甘氨酸乙酯(87223-76-5)海关数据

海关编码：

2926909090

海关数据：

中国海关编码：

2926909090

概述：

2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

N-(2-氰基苯基)甘氨酸乙酯(87223-76-5)推荐厂家更多厂家(17)

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N-(2-氰基苯基)甘氨酸乙酯(87223-76-5)合成路线

合成路线：1 步

1885-29-6

105-36-2

_83%

87223-76-5

反应条件：

1.1 Reagents: Sodium bicarbonate Solvents: Ethanol ; 24 h, reflux

参考文献：

Design, synthesis and biological evaluation of 2-alkoxycarbonyl-3-anilinoindoles as a new class of potent inhibitors of tubulin polymerization

Romagnoli, Romeo; et al, Bioorganic Chemistry, 2020, 97,

N-(2-氰基苯基)甘氨酸乙酯(87223-76-5)上下游

溴乙酸乙酯邻氨基苯甲腈

N-(2-氰基苯基)甘氨酸乙酯(87223-76-5) MSDS

基础信息

Name:	Ethyl 2-(2-cyanoanilino)acetate 97% Material Safety Data Sheet
Synonym:
CAS:	87223-76-5

Section 1 - Chemical Product ? MSDS Name:Ethyl 2-(2-cyanoanilino)acetate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
87223-76-5	Ethyl 2-(2-cyanoanilino)acetate	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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:

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 87223-76-5: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C11H12N2O2
Molecular Weight: 204.23

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 87223-76-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-(2-cyanoanilino)acetate - 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
Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 87223-76-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 87223-76-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 87223-76-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A