N-乙酰基-3-氟-DL-苯丙氨酸 | 17607-28-2

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 苯丙氨酸类衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-乙酰基-3-氟-DL-苯丙氨酸
• 中文别名: N-乙酰基-间-氟-DL-苯丙氨酸；N-乙酰基-3-氟-dl-苯基丙氨酸
• 英文名称: N-acetyl-3-fluoro-D,L-phenylalanine
• 英文别名: N-Acetyl-m-fluoro-DL-phenylalanin；N-Acetyl-3-fluor-DL-phenylalanin；2-Acetamido-3-(3-fluorophenyl)propanoic acid
• CAS: 17607-28-2
• 化学式: C₁₁H₁₂FNO₃
• 分子量: 225.22
• InChiKey: LKXNJLVPYPXTDY-UHFFFAOYSA-N

物化性质

• 熔点：
  154-157 °C(lit.)
• 沸点：
  450.2±40.0 °C(Predicted)
• 密度：
  1.273±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  2924299090

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : N-Acetyl-3-fluoro-DL-phenylalanine
CAS-No. : 17607-28-2
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C11H12FNO3
Molecular Weight : 225,22 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Hydrogen fluoride
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 154 - 157 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

---

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-乙酰基-3-氟-DL-苯丙氨酸 在 盐酸 、 papain 作用下， 生成 L-3-氟苯丙氨酸
  参考文献：
  名称：

  The Synthesis of 2-Fluoro-DL-tyrosine and 2-Fluoro-4-methoxy-DL-phenylalanine

  摘要：

  DOI：

  10.1021/ja01160a113
• 作为产物：
  描述：

  diethyl α-acetamido, α-(3-fluorobenzyl)malonate 在 sodium hydroxide 作用下， 生成 N-乙酰基-3-氟-DL-苯丙氨酸
  参考文献：
  名称：

  The Synthesis of 2-Fluoro-DL-tyrosine and 2-Fluoro-4-methoxy-DL-phenylalanine

  摘要：

  DOI：

  10.1021/ja01160a113

文献信息

• Retention and Selectivity of Teicoplanin Stationary Phases after Copper Complexation and Isotopic Exchange
  作者：Alain Berthod、Alain Valleix、Veronique Tizon、Estelle Leonce、Celine Caussignac、Daniel W. Armstrong

  DOI：10.1021/ac010444t

  日期：2001.11.1

  Teicoplanin is a macrocyclic glycopeptide that is highly effective as a chiral selector for LC enantiomeric separations. Two possible interaction paths were investigated and related to solute retention and selectivity: (1) interactions with the only teicoplanin amine group and (2) role of hydrogen bonding interactions. Mobile phases containing 0.5 and 5 mM copper ions were used to try to block the

  Teicoplanin是一种大环糖肽，可作为LC对映体分离的高效手性选择剂。研究了两种可能的相互作用路径，它们与溶质保留和选择性有关：（1）与唯一的替考拉宁胺基的相互作用和（2）氢键相互作用的作用。含有0.5和5 mM铜离子的流动相被用来阻断胺基。发现在铜离子存在下，替考拉宁固定相分离大多数未衍生的外消旋氨基酸的能力降低。但是，它保持了分离非α-氨基酸对映体的能力。已经确定几乎没有铜-替考拉宁复合物形成。Cu2 +对某些α-氨基酸的对映体分离的作用似乎是由于这些溶质是良好​​的二齿配体，并在流动相中与铜离子形成络合物。使用乙腈-重水流动相与氘化氢进行同位素交换。发现在氘代流动相中，所有氨基酸的保留时间均较短。在氘代流动相中，没有胺基的极性或非极性分子的保留时间更长。在所有情况下，对映选择性因子均不受氘交换的影响。建议在氘化流动相中减少静电相互作用，并且氘化氧化物会使溶质可进入的固定相体积有
• COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN
  申请人：JSR Corporation

  公开号：EP1950610A1

  公开（公告）日：2008-07-30

  An upper layer-forming composition formed on a photoresist while causing almost no intermixing with the photoresist film and a photoresist patterning method are provided. The upper layer-forming composition is stably maintained without being eluted in a medium such as water during liquid immersion lithography and is easily dissolved in an alkaline developer. The upper layer-forming composition covers a photoresist film for forming a pattern by exposure to radiation. The composition comprises a resin dissolvable in a developer for the photoresist film and a solvent in which the resin is dissolved. The solvent has a viscosity of less than 5.2 x 10-3 Pa·s at 20°C. In addition, the solvent does not cause intermixing of the photoresist film and the upper layer-forming composition. The solvent contains an ether or a hydrocarbon.

  本发明提供了一种在光刻胶上形成的上层形成组合物，同时几乎不会造成与光刻胶膜的混合，并提供了一种光刻胶图案化方法。在液浸光刻过程中，上层形成组合物可稳定地保持在水等介质中而不会被洗脱，并且很容易溶解在碱性显影剂中。上层形成组合物覆盖在光刻胶膜上，通过辐射形成图案。该组合物包括一种可溶解于光刻胶膜显影剂中的树脂和一种可溶解树脂的溶剂。溶剂在 20°C 时的粘度小于 5.2 x 10-3 Pa-s。此外，该溶剂不会造成光刻胶膜和上层形成组合物的混合。溶剂含有醚或烃。
• IMMERSION LITHOGRAPHIC COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN
  申请人：JSR Corporation

  公开号：EP1950610B1

  公开（公告）日：2012-05-02
• UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD
  申请人：Nakamura Atsushi

  公开号：US20100003615A1

  公开（公告）日：2010-01-07

  An upper layer-forming composition formed on a photoresist while causing almost no intermixing with the photoresist film and a photoresist patterning method are provided. The upper layer-forming composition is stably maintained without being eluted in a medium such as water during liquid immersion lithography and is easily dissolved in an alkaline developer. The upper layer-forming composition covers a photoresist film for forming a pattern by exposure to radiation. The composition comprises a resin dissolvable in a developer for the photoresist film and a solvent in which the resin is dissolved. The solvent has a viscosity of less than 5.2×10 −3 Pa·s at 20° C. In addition, the solvent does not cause intermixing of the photoresist film and the upper layer-forming composition. The solvent contains an ether or a hydrocarbon.
• US8435718B2
  申请人：——

  公开号：US8435718B2

  公开（公告）日：2013-05-07