444582-90-5 (1-Boc-4-(2-羧基苯基)哌嗪,1-Boc-4-(2-carboxyphenyl)piperazine)

快速询单

结构式：

1-Boc-4-(2-羧基苯基)哌嗪MOL文件

CAS号：

444582-90-5

中文名称：

1-Boc-4-(2-羧基苯基)哌嗪

英文名称：

1-Boc-4-(2-carboxyphenyl)piperazine

分子式：

C₁₆H₂₂N₂O₄

分子量：

306.356884479523

1-Boc-4-(2-羧基苯基)哌嗪(444582-90-5)名称与标识符

名称

中文别名：

1-Boc-4-(2-羧基苯基)哌嗪;

英文别名：

2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzoic acid;1-(2-carboxy-phenyl)-piperizine-4-carboxylic acid tert-butyl ester;1-Piperazinecarboxylicacid, 4-(2-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester;2-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid;1-Boc-4-(2-Carboxyphenyl)piperazine;1-Boc-4-(2-carboxy-phenyl)-piperazine;4-(2-carboxyphenyl)piperazine, 1-boc protected;SSBZXKJSOFJQBW-UHFFFAOYSA-N;DTXSID40373528;AB19561;1-piperazinecarboxylic acid, 4-(2-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester;7Z-7046;AKOS005765922;4-(2-carboxyphenyl)piperazine-1-carboxylic acid tert-butyl ester;1-(2-carboxy-phenyl)-piperazine-4-carboxylic acid tert-butyl ester;A7058;1-(2-carboxyphenyl)-4-Boc piperazine;444582-90-5;FT-0604274;1-boc-4-(2-carboxyphenyl)-piperazine;MFCD04115068;2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}benzoic acid;1-Piperazinecarboxylicacid,4-(2-carboxyphenyl)-,1-(1,1-dimethylethyl)ester;4-(2-Carboxyphenyl)piperazine-1-carboxylic acid t-butyl ester;AMY21596;2-(4-boc-piperazin-1-yl)benzoic acid;4-(2-Carboxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzoicacid;2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid;SCHEMBL110679;A10272;

标识符

MDL：

MFCD04115068

InChIKey：

SSBZXKJSOFJQBW-UHFFFAOYSA-N

Inchi：

1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-7-5-4-6-12(13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)

SMILES：

O(C(C)(C)C)C(N1CCN(C2C=CC=CC=2C(=O)O)CC1)=O

1-Boc-4-(2-羧基苯基)哌嗪(444582-90-5)物化性质

实验特性

LogP : 2.44480
PSA : 70.08000
折射率 : 1.561
沸点 : 458.9°C at 760 mmHg
熔点 : 165 °C
闪点 : 231.4°C
密度 : 1.213

计算特性

精确分子量 : 306.15800
氢键供体数量 : 1
氢键受体数量 : 6
可旋转化学键数量 : 5
同位素质量 : 306.158
重原子数量 : 22
复杂度 : 411
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） : 2.2
拓扑分子极性表面积 : 70.1A^2

1-Boc-4-(2-羧基苯基)哌嗪(444582-90-5)安全信息

1-Boc-4-(2-羧基苯基)哌嗪(444582-90-5)海关数据

海关编码：

2933599090

海关数据：

中国海关编码：

2933599090

概述：

2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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：

2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-Boc-4-(2-羧基苯基)哌嗪(444582-90-5)推荐厂家更多厂家(17)

公司名称	手机号/电话	联系人	QQ	询单
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上海甄准生物科技有限公司	13816009161 021-68920155	姜经理13816009161	3001086693	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
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JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单

1-Boc-4-(2-羧基苯基)哌嗪(444582-90-5)上下游

氰基苯基哌嗪 1-叔丁氧羰基-4-(2-甲酰苯基)哌嗪 BOC-酸酐 2-哌嗪-1-基苯甲酸

1-Boc-4-(2-羧基苯基)哌嗪(444582-90-5) MSDS

基础信息

Name:	2-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid Material Safety Data Sheet
Synonym:	None Known
CAS:	444582-90-5

Section 1 - Chemical Product ? MSDS Name:2-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
444582-90-5	2-[4-(tert-Butoxycarbonyl)piperazino]b	97+%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 444582-90-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Not available.
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: C16H22N2O4
Molecular Weight: 306.36

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Reducing agents, amines, strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 444582-90-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[4-(tert-Butoxycarbonyl)piperazino]benzoic 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
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.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 444582-90-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 444582-90-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 444582-90-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A