17481-06-0 (N-乙酰-DL-4-氟苯基丙氨酸,2-acetamido-3-(4-fluorophenyl)propanoic acid)

CAS号:
17481-06-0
中文名称:
N-乙酰-DL-4-氟苯基丙氨酸
英文名称:
2-acetamido-3-(4-fluorophenyl)propanoic acid
分子式:
C11H12FNO3
分子量:
225.216286659241

N-乙酰-DL-4-氟苯基丙氨酸(17481-06-0)名称与标识符

名称

中文别名:
N-乙酰-DL-4-氟苯基丙氨酸;N-乙酰基-4-氟-DL-苯丙氨酸;4-苯氧基吡啶;N-乙酰-DL-4-氟苯丙氨酸;N-乙酰-DL-4-氟苯基苯胺;乙酰基-4-氟-DL-苯丙氨酸;N-乙酰基-DL-4-氟苯丙氨酸;N-乙酰-DL-4-氟苯基丙氨酸,98%;
英文别名:
Acetic 2-amino-3-(4-fluorophenyl)propanoic anhydride;Ac-Phe(4-F)-OH;ACETYL-DL-p-FLUOROPHENYLALANINE, N-(RG);N-Acetyl-4-fluoro-DL-phenylalanine;2-acetamido-3-(4-fluorophenyl)propanoic acid;N-Acetyl-DL-4-fluorophenylalanine;AC-DL-PHE(4-F)-OH;AC-DL-PHE(P-F)-OH;TIMTEC-BB SBB006684;AC-P-FLUORO-DL-PHE-OH;N-ACETYL FLUOROPHENYLALANINE;ACETYL-4-FLUORO-DL-PHENYLALANINE;N-ACETYL-DL-P-FLUOROPHENYLALANINE;LABOTEST-BB LT00012638;NS00052442;J-011041;MFCD00017983;SCHEMBL504108;2-acetamido-3-(4-fluorophenyl)propanoic acid (3);SR-01000503946-1;17481-06-0;SMR000019466;FT-0629808;N-Acetyl-4-fluoro-DL-phenylalanine (Ac-DL-Phe(4-F)-OH);DL-Phenylalanine, N-acetyl-4-fluoro-;DTXSID601306893;CHEMBL1734583;N-Acetyl-4-fluoro-DL-phenylalanine, 98%;NSC523829;EN300-1217891;EU-0046728;MLS000043039;N-acetyl-4-fluorophenylalanine;F2147-6675;SR-01000503946;NSC-523829;AKOS001667260;Phenylalanine, N-acetyl-4-fluoro-;BDBM222299;CS-0154003;HMS2382I08;NRLBRFQYMSTLJK-UHFFFAOYSA-N;DB-043990;

标识符

MDL:
MFCD00017983
InChIKey:
NRLBRFQYMSTLJK-UHFFFAOYSA-N
Inchi:
1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
SMILES:
FC1C=CC(=CC=1)CC(C(=O)O)NC(C)=O
BRN:
3206105

N-乙酰-DL-4-氟苯基丙氨酸(17481-06-0)物化性质

实验特性

  • LogP : 1.34840
  • PSA : 66.40000
  • 沸点 : 458.9°Cat760mmHg
  • 熔点 : 150-153 °C (lit.)
  • 闪点 : 231.3°C
  • 颜色与性状 : 不确定
  • 溶解性 : 不确定
  • 密度 : 1.2317 (estimate)

计算特性

  • 精确分子量 : 225.08000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 225.08
  • 重原子数量 : 16
  • 复杂度 : 262
  • 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 : 1
  • 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) : 无
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 66.4A^2

N-乙酰-DL-4-氟苯基丙氨酸(17481-06-0)安全信息

N-乙酰-DL-4-氟苯基丙氨酸(17481-06-0)国际标准相关数据

EINECS:
241-495-5

N-乙酰-DL-4-氟苯基丙氨酸(17481-06-0)海关数据

海关编码:
2924299090
海关数据:

中国海关编码:

2924299090

概述:

2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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:30.0%

申报要素:

品名, 成分含量, 用途, 包装

Summary:

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N-乙酰-DL-4-氟苯基丙氨酸(17481-06-0)推荐厂家 更多厂家(18)

N-乙酰-DL-4-氟苯基丙氨酸(17481-06-0) MSDS

基础信息

Name:n- Acetyl-4-Fluoro-DL-Phenylalanine 98% Material Safety Data Sheet
Synonym:Non
CAS:17481-06-0
Section 1 - Chemical Product ? MSDS Name:n- Acetyl-4-Fluoro-DL-Phenylalanine 98% Material Safety Data Sheet
Synonym:Non

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
17481-06-0N-Acetyl-4-fluoro-DL-phenylalanine98%241-495-5
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.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water fog, dry chemical, carbon dioxide, or regular foam. Use agent most appropriate to extinguish fire.

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. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Minimize dust generation and accumulation. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 17481-06-0: 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: Crystals
Color: colorless, white semi-transparent
Odor: aromatic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 150 - 153 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: C11H12FNO3
Molecular Weight: 225.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures. Has not been fully evaluated.
Conditions to Avoid:
Incompatible materials, none reported, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing materials.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 17481-06-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Acetyl-4-fluoro-DL-phenylalanine - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 17481-06-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17481-06-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17481-06-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A