142186-36-5 ((S)-N-BOC-4-氟苯基氨基乙酸,Boc-(S)-2-amino-2-(4-fluorophenyl)acetic Acid)

快速询单

结构式：

(S)-N-BOC-4-氟苯基氨基乙酸MOL文件

CAS号：

142186-36-5

中文名称：

(S)-N-BOC-4-氟苯基氨基乙酸

英文名称：

Boc-(S)-2-amino-2-(4-fluorophenyl)acetic Acid

分子式：

C₁₃H₁₆FNO₄

分子量：

269.268847465515

(S)-N-BOC-4-氟苯基氨基乙酸(142186-36-5)名称与标识符

名称

中文别名：

(S)-N-BOC-4-氟苯基氨基乙酸;(S)-N-Boc-4-氟苯基甘氨酸;(S)-N-BOC-4-氟代苯苷氨酸;4-硫代尿苷;(alphaS)-alpha-[叔丁氧羰基氨基]-4-氟苯乙酸;

英文别名：

(S)-2-((tert-Butoxycarbonyl)amino)-2-(4-fluorophenyl)acetic acid;(2S)-2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;ACETAMIDOMETHANESULFONIC ACID;Benzeneacetic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-,(aS)-;Boc-4-fluoro-L-phenylglycine;(2S)-[(tert-butoxycarbonyl)amino](4-fluorophenyl)acetic acid;(2S)-[(tert-butoxycarbonyl)amino](4-fluorophenyl)ethanoic acid;(S)-N-(tert-butoxycarbonyl)-(4-fluorophenyl)glycine;(S)-N-BOC-4-Fluorophenylglycine;N-(tert-butyloxycarbonyl)-4-fluorophenylglycine;DTXSID60370337;N-(tert-Butoxycarbonyl)-4-fluoro-L-phenylglycine;(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(4-fluorophenyl)acetic acid;Benzeneaceticacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-,(S)-;Benzeneacetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, (alphaS)-;IEQBOUSLFRLKKX-JTQLQIEISA-N;(S)-2-((tert-Butoxycarbonyl)amino)-2-(4-fluorophenyl)aceticacid;DS-12110;EN300-1071140;(S)-2-(tert-butoxycarbonylamino)-2-(4-fluorophenyl)acetic acid;(S)-N-Boc-4-fluorophenylglycine, AldrichCPR;MFCD01320862;SCHEMBL1162807;CS-0137919;142186-36-5;N13019;BCP06234;(S)-[(tert-butoxycarbonyl)amino](4-fluorophenyl)acetic acid;AKOS016001119;Boc-(S)-2-amino-2-(4-fluorophenyl)acetic acid;

标识符

MDL：

MFCD01320862

InChIKey：

IEQBOUSLFRLKKX-JTQLQIEISA-N

Inchi：

1S/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1

SMILES：

FC1C=CC(=CC=1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C

(S)-N-BOC-4-氟苯基氨基乙酸(142186-36-5)物化性质

实验特性

LogP : 2.86700
PSA : 75.63000
沸点 : 408.4°Cat760mmHg
熔点 : 130.2 °C
闪点 : 200.8°C
溶解度 : Very 微溶 (0.38 g/L) (25 ºC),
颜色与性状 : 白色粉末
溶解性 : 无可用
密度 : 1.242±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 269.10600
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 6
同位素质量 : 268.098511
重原子数量 : 19
复杂度 : 327
同位素原子数量 : 0
确定原子立构中心数量 : 1
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） : 3
表面电荷 : -1
拓扑分子极性表面积 : 78.5

(S)-N-BOC-4-氟苯基氨基乙酸(142186-36-5)安全信息

安全术语： S24/25
安全说明： S24/25
HazardClass： IRRITANT

(S)-N-BOC-4-氟苯基氨基乙酸(142186-36-5)海关数据

海关编码：

2922509090

海关数据：

中国海关编码：

2922509090

概述：

2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 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：

R.进口食品卫生监督检验
S.出口食品卫生监督检验

Summary：

2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(S)-N-BOC-4-氟苯基氨基乙酸(142186-36-5)推荐厂家更多厂家(12)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
上海绩祥生物科技有限公司	18605105771	李经理	1799924424	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
湖北实兴化工有限公司	13554155445 13554155445	石小姐	1273554433	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
南兴化工（江苏）有限公司	18651116180 0512-66387035	闵慧萍	3771156959	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

(S)-N-BOC-4-氟苯基氨基乙酸(142186-36-5)上下游

二氧化碳对氟苄胺 BOC-酸酐

(S)-N-BOC-4-氟苯基氨基乙酸(142186-36-5) MSDS

基础信息

Name:	(S)-N-BOC-4-Fluorophenylglycine, 95%, (98% E.E.) Material Safety Data Sheet
Synonym:	(L)-N-tert-Butoxycarbonyl-alpha-(4-Fluorophenyl)Acetic Acid.
CAS:	142186-36-5

Section 1 - Chemical Product MSDS Name: (S)-N-BOC-4-Fluorophenylglycine, 95%, (98% E.E.) Material Safety Data Sheet
Synonym: (L)-N-tert-Butoxycarbonyl-alpha-(4-Fluorophenyl)Acetic Acid.

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
142186-36-5	(S)-N-BOC-4-Fluorophenylglycine	95%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. 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:
Wash thoroughly after handling. Use with adequate ventilation. 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.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 142186-36-5: 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: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 269.5 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H16FNO4
Molecular Weight: 269.27

SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 142186-36-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-N-BOC-4-Fluorophenylglycine - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.

SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 142186-36-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 142186-36-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 142186-36-5 is not listed on the TSCA inventory. It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 1/16/2002 Revision #2 Date: 10/05/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A