2-苯氧基丙酰氯 | 122-35-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酰卤化物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-苯氧基丙酰氯
• 英文名称: 2-phenoxypropanoic acid chloride
• 英文别名: 2-phenoxypropionyl chloride；2-phenoxypropanoyl chloride
• CAS: 122-35-0
• 化学式: C₉H₉ClO₂
• mdl: MFCD00018810
• 分子量: 184.622
• InChiKey: BDSSZTXPZHIYHM-UHFFFAOYSA-N

物化性质

• 沸点：
  246°C
• 密度：
  1,18 g/cm3
• 闪点：
  >100°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2918990090
• 包装等级：
  II
• 危险类别：
  8
• 危险品运输编号：
  3265
• 储存条件：
  存放于惰性气体中，并避免接触湿气（以免发生分解）。

SDS

2-Phenoxypropionyl Chloride Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 2-Phenoxypropionyl Chloride

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Category 1
Corrosive to metals
HEALTH HAZARDS
Category 1C
Skin corrosion/irritation
Serious eye damage/eye irritation Category 1
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Danger
Hazard statements May be corrosive to metals
Causes severe skin burns and eye damage
Precautionary statements:
[Prevention] Keep only in original container.
Do not breathe dust/fume/gas/mist/vapours/spray.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing.
IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
Wash contaminated clothing before reuse.
Immediately call a POISON CENTER or doctor/physician.
Absorb spillage to prevent material damage.
[Storage] Store locked up.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.
2-Phenoxypropionyl Chloride

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 2-Phenoxypropionyl Chloride
Percent: >95.0%(T)
CAS Number: 122-35-0
Chemical Formula: C9H9ClO2

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Immediately call a POISON CENTER or doctor/physician.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing.Immediately call a POISON CENTER or
doctor/physician.
Ingestion: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
induce vomiting.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, carbon dioxide.
media:
Unsuitable extinguishing Water
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use extra personal protective equipment (self-contained breathing apparatus). Keep
Personal precautions,
protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.
Prevention of secondary Do not allow contact with water. Remove all sources of ignition. Fire-extinguishing
hazards: devices should be prepared in case of a fire. Use spark-proof tools and explosion-
proof equipment.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
will be generated.
Avoid contact with skin, eyes and clothing.
Advice on safe handling:
May develop pressure. Open carefully.
Use corrosive resistant equipment.
2-Phenoxypropionyl Chloride

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Section 7. HANDLING AND STORAGE
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store under inert gas.
Protect from moisture.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Moisture-sensitive
Packaging material: Comply with laws. Keep only in original container.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
air respirator, etc. Use respirators approved under appropriate government standards
and follow local and national regulations.
Impervious gloves.
Hand protection:
Eye protection: Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: Clear
Colorless - Pale yellow
Colour:
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
106°C/0.7kPa
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
1.18
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous Decomposes in contact with water and liberates toxic gases.
reactions:
Conditions to avoid: Moisture
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride
products:

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP = No data available
2-Phenoxypropionyl Chloride

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Section 11. TOXICOLOGICAL INFORMATION
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: 8: Corrosive.
UN-No: 3265
Proper shipping name: Corrosive liquid, acidic, organic, n.o.s.
Packing group: III

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-苯氧基丙酰氯 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 3-苯氧基-2-丁酮
  参考文献：
  名称：

  Direct Conversion of N-Methoxy-N-methylamides (Weinreb Amides) to Ketones via a Nonclassical Wittig Reaction

  摘要：

  N-Methoxy-N-methylamides (Weinreb amides) are converted efficiently into ketones by reaction with alkylidenetriphenylphosphoranes and in situ hydrolysis of the product.

  DOI：

  10.1021/ol050337b
• 作为产物：
  描述：

  potassium phenolate 在 氯化亚砜 作用下， 生成 2-苯氧基丙酰氯
  参考文献：
  名称：

  Plazek et al., Roczniki Chemii, 1935, vol. 15, p. 365,370

  摘要：

  DOI：

文献信息

• Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists
  申请人：Failli A. Amedeo

  公开号：US20060287522A1

  公开（公告）日：2006-12-21

  This invention provides pyrrolobenzodiazepine pyridine carboxamides selected from those of Formula (1), which act as follicle stimulating hormone receptor antagonists. The invention also provides pharmaceutical compositions and methods of treatment utilizing the compounds of Formulae (1) and (2).

  这项发明提供了从式（1）中选择的吡咯苯并二氮杂吡咯烷吡啶羧酰胺，其作为卵泡刺激素受体拮抗剂。该发明还提供了利用式（1）和（2）化合物的药物组合物和治疗方法。
• FLUORENE-TYPE COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPRISING SAID FLUORENE-TYPE COMPOUND, AND PHOTOSENSITIVE COMPOSITION CONTAINING SAID PHOTOPOLYMERIZATION INITIATOR
  申请人：Daito Chemix Corporation

  公开号：US20150259321A1

  公开（公告）日：2015-09-17

  According to an embodiment of the present invention, there is provided a novel fluorene-based compound and a photopolymerization initiator using the fluorene-based compound. The fluorene-based compound according to an embodiment of the present invention is represented by the general formula (1). A photopolymerization initiator having additionally high sensitivity can be provided by using the fluorene-based compound. In addition, a photopolymerization initiator that can impart additionally excellent characteristics can be provided by appropriately selecting, for example, a substituent.

  根据本发明实施例，提供了一种新的基于芴的化合物和使用该基于芴的化合物的光聚合引发剂。根据本发明实施例，基于芴的化合物由通式（1）表示。通过使用基于芴的化合物，可以提供具有更高灵敏度的光聚合引发剂。此外，通过适当选择例如取代基，可以提供具有额外优异特性的光聚合引发剂。
• [EN] PIPERAZINE, [1,4]DIAZEPANE, [1,4]DIAZOCANE, AND [1,5]DIAZOCANE FUSED IMIDAZO RING COMPOUNDS<br/>[FR] COMPOSES DE CYCLES ACCOLES IMIDAZO DE PIPERAZINE, [1,4]DIAZEPANE, [1,4]DIAZOCANE, ET [1,5]DIAZOCANE
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2005066172A1

  公开（公告）日：2005-07-21

  Piperazine, [1,4]diazepane, [1,4]diazocane, and [1,5]diazocane fused imidazo ring compounds (i.e., imidazoquinolines, tetrahydroimidazoquinolines, imidazonaphthyridines, tetrahydroimidazonaphthyridines, and imidazopyridines), pharmaceutical compositions containing the compounds, intermediates, methods of making, and methods of use of these compounds as immunomodulators, for inducing or inhibiting cytokine biosynthesis in animals and in the treatment of diseases including viral and neoplastic diseases are disclosed.

  哌嗪、[1,4]二氮杂环庚烷、[1,4]二氮杂环庚烷和[1,5]二氮杂环庚烷融合的咪唑环化合物（即咪唑喹啉、四氢咪唑喹啉、咪唑萘啉、四氢咪唑萘啉和咪唑吡啶），含有这些化合物的药物组合物，中间体，制备方法以及将这些化合物用作免疫调节剂的方法，用于诱导或抑制动物体内的细胞因子生物合成，并用于治疗包括病毒性和肿瘤性疾病在内的疾病。
• Sulfonamido-and amidophenyl N-methylcarbamates and use as insecticides
  申请人：Mobil Oil Corporation

  公开号：US04051254A1

  公开（公告）日：1977-09-27

  There are provided phenyl N-methylcarbamates substituted in the 4-position with groups, such as alkanesulfamido, haloalkanesulfamido, alkoxyalkanamido, haloalkanamido, alkylthioalkanamido, or furoylamido. These compounds are effective for the control of several insect species as systemic and stomach poison insecticides, as larvicides, and as ovicides.

  提供的苯基N-甲基氨基甲酸酯在4位被取代为各种基团，如烷基磺酰胺基，卤代烷基磺酰胺基，烷氧基烷酰胺基，卤代烷酰胺基，烷基硫代烷酰胺基或呋喃酰胺基。这些化合物对多种昆虫具有控制作用，可作为系统性和胃毒杀虫剂，幼虫杀虫剂和卵杀虫剂。
• Synthesis and structure–activity relationships of novel arylalkyl 4-benzyl piperazine derivatives as σ site selective ligands
  作者：S Younes

  DOI：10.1016/s0223-5234(00)00113-6

  日期：2000.1

  Continuing our previous work that established that some chromones substituted by an aryl alkyl piperazino alkyl side chain are potent and selective sigma ligands and could be interesting in the treatment of psychosis, we synthesized 60 new compounds, replacing the chromone moiety by various cyclic systems. Many derivatives bind to the sigma sites in the nanomolar range and are generally selective in comparison

  继续我们先前的工作，即确定被芳基烷基哌嗪子烷基侧链取代的某些色酮是有效的选择性σ配体，在精神病治疗中可能是令人感兴趣的，我们合成了60种新化合物，用各种环状系统取代了色酮部分。许多衍生物与纳摩尔范围内的sigma位点结合，与5HT（1A）和D（2）受体相比通常具有选择性。这些系列中最有效的配体之一，是1-（2-萘甲基）-4-苄基哌嗪29，已在各种药理试验中得到了研究。尽管它在治疗精神病方面没有潜力，但我们获得的结果证实了数据，表明这些衍生物可能在炎性疾病的治疗中令人感兴趣。

表征谱图