苯磺酸2-氯乙酯 | 16670-48-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯磺酸2-氯乙酯
• 英文名称: 2-chloroethyl benzenesulfonate
• 英文别名: 2-(benzene-sulphonyloxy)ethyl chloride；benzenesulfonic acid-(2-chloro-ethyl ester)；Benzolsulfonsaeure-(2-chlor-aethylester)
• CAS: 16670-48-7
• 化学式: C₈H₉ClO₃S
• mdl: MFCD10566886
• 分子量: 220.677
• InChiKey: CIIGWOXXOUVEAD-UHFFFAOYSA-N

物化性质

• 沸点：
  188 °C / 17mmHg
• 密度：
  1.35

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2905590090
• 储存条件：
  存放于惰性气体中，并避免接触湿气（否则可能分解）。

SDS

2-Chloroethyl Benzenesulfonate Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 2-Chloroethyl Benzenesulfonate

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 2-Chloroethyl Benzenesulfonate
Percent: >98.0%(GC)
CAS Number: 16670-48-7
Synonyms: Benzenesulfonic Acid 2-Chloroethyl Ester
Chemical Formula: C8H9ClO3S

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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.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
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, foam, water spray, carbon dioxide.
media:
Unsuitable extinguishing Solid streams of water
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
2-Chloroethyl Benzenesulfonate

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Section 5. FIRE-FIGHTING MEASURES
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 personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: 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.

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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 ventilation, local exhaust if vapour or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: 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
Very pale yellow - Pale yellow
Colour:
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
188°C/2.3kPa
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
1.35
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents] No data available
2-Chloroethyl Benzenesulfonate

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Sulfur oxides, Hydrogen chloride
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
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
Bioaccumulative No data available
potential(BCF):
Mobility in soil
No data available
Log Pow:
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
Does not correspond to the classification standard of the United Nations
Hazards Class:
UN-No: Not listed

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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.
2-Chloroethyl Benzenesulfonate

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  苯磺酸2-氯乙酯 在 丙酮 、 sodium iodide 作用下， 生成 1-氯-2-碘乙烷
  参考文献：
  名称：

  烷基和取代烷基甲磺酸盐的制备和一些裂解反应：氟化物、碘化物和硫氰酸盐的合成

  摘要：

  合成了具有代表性的甲磺酸酯，并裂解形成相应的氟化物、碘化物和硫氰酸酯。从这项工作中开发了一种方便的实验室程序，用于将醇转化为氟化物。

  DOI：

  10.1139/v56-099
• 作为产物：
  描述：

  chloroethyl chlorosulfate 、 苯 生成 苯磺酸2-氯乙酯
  参考文献：
  名称：

  Mansurow; Zukerwanik, Doklady Akademii Nauk UzSSR, 1957, # 12, p. 23,24

  摘要：

  DOI：

文献信息

• Reaction of Pyrylium Salts with Nucleophiles. 23: Triarylethene Derivatives Containing an Oxyalkyleneamino or Oxyalkylene-N-pyridinium Side Chain
  作者：Octavian Stanciuc、Alexandru T. Balaban

  DOI：10.1002/jps.2600820911

  日期：1993.9

  amines related to anticancer drugs clomiphene and tamoxifen on the basis of key intermediates with a phenolic group, to which a side chain (omega-aminoethoxy or omega-aminopropoxy) was attached. These compounds were then reacted with 2,4,6-trimethyl- or 2,4,6-triphenylpyrylium salts. This afforded pyridinium analogues of clomiphene and tamoxifen as potential therapeutic agents for treatment against hormone-dependent

  设计了一种合成设计，用于制备与抗癌药克罗米芬和他莫昔芬有关的伯胺，该伯胺的主要中间体是带有酚基的中间体，该中间体上连接有侧链（ω-氨基乙氧基或ω-氨基丙氧基）。然后使这些化合物与2,4,6-三甲基-或2,4,6-三苯基吡啶鎓盐反应。这提供了克罗米芬和他莫昔芬的吡啶鎓类似物作为针对激素依赖性肿瘤的潜在治疗剂。
• Anti-arrhythmic agents
  申请人：Pfizer Inc.

  公开号：US04959366A1

  公开（公告）日：1990-09-25

  A series of [N-alkyl-N-(nitro-, alkylsulphonamido, or amino-phenalkyl)amino]-alkyl, alkoxy or alkylthio phenyl derivatives having utility as anti-arrhythmic agents.

  一系列具有抗心律失常药物作用的[N-烷基-N-(硝基、烷基磺酰胺基或氨基苯基)氨基]-烷基、烷氧基或烷基硫基苯基衍生物。
• PDE9 inhibitors for treating cardiovascular disorders
  申请人：Pfizer Inc.

  公开号：US20030195205A1

  公开（公告）日：2003-10-16

  The invention relates to PDE9 inhibitors for treating cardiovascular disorders. Preferred PDE9 inhibitors are compounds of formula I wherein R 1 is H or C 1-6 alkyl, wherein R 1 is attached to either N 1 or N 2 ; R 2 is C 1-6 alkyl optionally substituted by hydroxy or alkoxy; C 3-7 cycloalkyl optionally substituted by alkyl, hydroxy or alkoxy; a saturated 5-6-membered heterocycle optionally substituted by alkyl, hydroxy or alkoxy; het1 or Ar 1 ; R 3 is C 1-6 alkyl optionally substituted by 1 or 2 groups independently selected from: Ar 2 ; C 3-7 cycloalkyl optionally substituted by C 1-6 alkyl; OAr 2 ; SAr 2 ; NHC(O)C 1-6 alkyl; het 2 ; xanthene; and naphthalene. 1

  该发明涉及用于治疗心血管疾病的PDE9抑制剂。首选的PDE9抑制剂是具有以下结构的化合物，其中R1是H或C1-6烷基，其中R1连接到N1或N2中的任一者；R2是C1-6烷基，可选择地被羟基或烷氧基取代；C3-7环烷基，可选择地被烷基、羟基或烷氧基取代；饱和的5-6成员杂环，可选择地被烷基、羟基或烷氧基取代；het1或Ar1；R3是C1-6烷基，可选择地被从Ar2中独立选择的1或2个基团取代；C3-7环烷基，可选择地被C1-6烷基取代；OAr2；SAr2；NHC(O)C1-6烷基；het2；黄酮；和萘。
• Heterocyclic thromboxane synthetase inhibitors and pharmaceutical
  申请人：Pfizer Inc.

  公开号：US04410539A1

  公开（公告）日：1983-10-18

  Heterocyclic thromboxane synthetase inhibitors of the formula ##STR1## wherein R.sup.1, which is attached to the 2-, 3- or 4-position, is hydrogen, halogen, C.sub.1 -C.sub.4 alkyl, hydroxy or C.sub.1 -C.sub.4 alkoxy; Y, which is attached to the 2- or 3-position, is --COOH, --COO(C.sub.1 -C.sub.4 alkyl) or --CONH.sub.2 ; X is O, S, NH, N(C.sub.1 -C.sub.4 alkyl) or N(benzyl); and R, which is attached to the 5-, 6- or 7-position, is a group of the formula ##STR2## or (3- or 4-pyridyl)-Z.sup.2 - wherein Z.sup.1 is --CH.sub.2 --, --CH.sub.2 CH.sub.2 -- or --CH.sub.2 CH.sub.2 O-- and Z.sup.2 is --CH.sub.2 --, --CH.sub.2 CH.sub.2 --, --CH.dbd.CH--, --CH.sub.2 O-- or --OCH.sub.2 --; and their pharmaceutically acceptable salts; processes for their preparation, and pharmaceutical compositions containing them.

  杂环血栓素合成酶抑制剂的化学式为##STR1##其中R.sup.1，连接到2-、3-或4-位置，是氢、卤素、C.sub.1 -C.sub.4烷基、羟基或C.sub.1 -C.sub.4烷氧基；Y，连接到2-或3-位置，是--COOH、--COO(C.sub.1 -C.sub.4烷基)或--CONH.sub.2；X为O、S、NH、N(C.sub.1 -C.sub.4烷基)或N(苄基)；R，连接到5-、6-或7-位置，是化学式##STR2##或(3-或4-吡啶基)-Z.sup.2-其中Z.sup.1为--CH.sub.2 --、--CH.sub.2 CH.sub.2 --或--CH.sub.2 CH.sub.2 O--，Z.sup.2为--CH.sub.2 --、--CH.sub.2 CH.sub.2 --、--CH.dbd.CH--、--CH.sub.2 O--或--OCH.sub.2 --；以及它们的药学上可接受的盐；它们的制备方法和含有它们的药物组合物。
• Antiarrhythmic agents, compositions and method of use thereas
  申请人：Pfizer Inc.

  公开号：US04891372A1

  公开（公告）日：1990-01-02

  An antiarrhythmic agent of the formula ##STR1## or a pharmaceutically acceptable salt thereof; wherein R.sup.1 is H, C.sub.1 -C.sub.4 alkyl or C.sub.1 -C.sub.4 alkoxy; X is O, ##STR2## or a direct link; and R.sup.2 and R.sup.3, which are the same or different, are each C.sub.1 -C.sub.4 alkyl, with the proviso that when X is ##STR3## R.sup.2 and R.sup.3 are the same.

  一种抗心律失常药剂，其分子式为##STR1##或其药用可接受的盐；其中R.sup.1为H、C.sub.1 -C.sub.4烷基或C.sub.1 -C.sub.4烷氧基；X为O、##STR2##或直接链接；R.sup.2和R.sup.3，相同或不同，均为C.sub.1 -C.sub.4烷基，但当X为##STR3##时，R.sup.2和R.sup.3相同。

表征谱图