352018-90-7 (1-(4-氰基苯基L)-4-哌嗪羧酸乙酯,Ethyl 1-(4-Cyanophenyl)-4-piperidinecarboxylate)

快速询单

结构式：

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯MOL文件

CAS号：

352018-90-7

中文名称：

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯

英文名称：

Ethyl 1-(4-Cyanophenyl)-4-piperidinecarboxylate

分子式：

C₁₅H₁₈N₂O₂

分子量：

258.315623760223

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯(352018-90-7)名称与标识符

名称

中文别名：

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯;

英文别名：

4-Piperidinecarboxylicacid, 1-(4-cyanophenyl)-, ethyl ester;Ethyl 1-(4-cyanophenyl)-4-piperidinecarboxylate;ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate;1-(4-cyanophenyl)-piperidine-4-carboxylic acid ethyl ester;4-(4-ethoxycarbonyl-piperidino)-benzonitrile;ethyl 1-(4-cyanophenyl)-piperidine-4-carboxylate;MFCD03086198;SCHEMBL2654128;11T-0236;DTXSID10381478;LIWHXOHASZYDEM-UHFFFAOYSA-N;SR-01000635829-1;CCG-46111;SDCCGMLS-0066156.P001;352018-90-7;FT-0625823;CPA01890;AKOS005069521;CS-0323394;

标识符

MDL：

MFCD03086198

InChIKey：

LIWHXOHASZYDEM-UHFFFAOYSA-N

Inchi：

1S/C15H18N2O2/c1-2-19-15(18)13-7-9-17(10-8-13)14-5-3-12(11-16)4-6-14/h3-6,13H,2,7-10H2,1H3

SMILES：

O(CC)C(C1CCN(C2C=CC(C#N)=CC=2)CC1)=O

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯(352018-90-7)物化性质

实验特性

LogP : 2.40278
PSA : 53.33000
沸点 : 415.4±40.0 °C at 760 mmHg
熔点 : 67 °C
蒸气压 : 0.0±1.0 mmHg at 25°C
闪点 : 205.0±27.3 °C
密度 : 1.2±0.1 g/cm3

计算特性

精确分子量 : 258.13700
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 4
同位素质量 : 258.136827821g/mol
重原子数量 : 19
复杂度 : 344
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） : 2.5
拓扑分子极性表面积 : 53.3Å²

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯(352018-90-7)安全信息

安全术语： S36/37
安全说明： S36/37
风险术语： R20/21/22
危险品标志： Xn
危险品运输编号： UN 3276
危害声明：H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
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
信号词： warning
HazardClass： IRRITANT

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯(352018-90-7)国际标准相关数据

EINECS：

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯(352018-90-7)海关数据

海关编码：

2933399090

海关数据：

中国海关编码：

2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 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：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯(352018-90-7)推荐厂家更多厂家(4)

公司名称	手机号/电话	联系人	QQ	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
上海麦克林生化科技股份有限公司	15221275939 021-50706066	沈经理	269348414	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

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯(352018-90-7)参考资料

Reaxys RN：

PubChem CID：

2779638

1-(4-氰基苯基L)-4-哌嗪羧酸乙酯(352018-90-7) MSDS

基础信息

Name:	Ethyl 1-(4-cyanophenyl)-4-piperidinecarboxylate 97% Material Safety Data Sheet
Synonym:
CAS:	352018-90-7

Section 1 - Chemical Product ? MSDS Name:Ethyl 1-(4-cyanophenyl)-4-piperidinecarboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
352018-90-7	Ethyl 1-(4-cyanophenyl)-4-piperidineca	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# 352018-90-7: 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: beige
Odor: odorless - slight odor
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: C15H18N2O2
Molecular Weight: 258.32

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 352018-90-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 1-(4-cyanophenyl)-4-piperidinecarboxylate - 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# 352018-90-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 352018-90-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 352018-90-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A