N,N-双(2-氯乙基)草酰胺 | 16813-43-7

• 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,N-双(2-氯乙基)草酰胺
• 中文别名: N,N'-双(2-氯乙基)草酰胺
• 英文名称: N,N'-bis-(2-chloro-ethyl)-oxalamide
• 英文别名: N,N'-Bis-(2-chlor-aethyl)-oxalamid；Oxalsaeure-bis-(2-chlor-aethylamid)；N.N'-Bis-(2-chlor-aethyl)-oxamid；N,N'-bis-(2-chloroethyl)oxamide；N,N'-bis(2-chloroethyl)oxamide；Oxalsaeure-bis-<2-chlor-ethylamid>
• CAS: 16813-43-7
• 化学式: C₆H₁₀Cl₂N₂O₂
• mdl: MFCD00151809
• 分子量: 213.064
• InChiKey: MUAULJMMFLVLHM-UHFFFAOYSA-N

物化性质

• 熔点：
  203 °C
• 密度：
  1.313±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924199090
• 储存条件：
  室温和干燥环境

SDS

N,N'-Bis(2-chloroethyl)oxamide
SAFETY DATA SHEET

---

Section 1. IDENTIFICATION OF THE SUBSTANCE OR MIXTURE AND OF THE SUPPLIER
Product name: N,N'-Bis(2-chloroethyl)oxamide

---

Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS Not classified
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
None
Pictograms or hazard symbols
Signal word No signal word
None
Hazard statement
Precautionary statements None

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Component(s): N,N'-Bis(2-chloroethyl)oxamide
Percent: >98.0%(N)
CAS Number: 16813-43-7
Synonyms: N,N'-Oxalylbis(2-chloroethylamine)
Chemical Formula: C6H10Cl2N2O2

---

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.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

---

Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
N,N'-Bis(2-chloroethyl)oxamide

---

Section 5. FIRE-FIGHTING MEASURES
Specific methods: 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:

---

Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

---

Section 7. HANDLING AND STORAGE
Handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Storage
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Law is followed.

---

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust 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.

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Form: crystal - powder
Color: White - Very pale yellow
Odor: No data available
pH: No data available
Melting point/freezing point:203 °C
Boiling Point/Range: No data available
Flash Point: No data available
Explosive limits
Lower: No data available
Upper: No data available
Density: No data available
Solubility: No data available

---

Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
Reactivity: No special reactivity has been reported.
Incompartible materials: oxidizing agents
N,N'-Bis(2-chloroethyl)oxamide

---

Section 10. STABILITY AND REACTIVITY
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
Products:

---

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
NTP = No data available
Reproductive toxicity: No data available

---

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

---

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

---

Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
Not Listed
UN-No:

---

Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.
N,N'-Bis(2-chloroethyl)oxamide

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N,N-双(2-氯乙基)草酰胺 在 sodium iodide 作用下， 生成 N,N'-Bis-<2-iod-ethyl>-oxalsaeure-diamid
  参考文献：
  名称：

  281.合成神经肌肉阻滞剂。第四部分。与月桂醇和丁二铵有关的化合物

  摘要：

  DOI：

  10.1039/jr9620001481
• 作为产物：
  描述：

  N,N'-二(2-羟乙基)草酰胺 在 氯化亚砜 、 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 以96.4 %的产率得到N,N-双(2-氯乙基)草酰胺
  参考文献：
  名称：

  一种2,2’-双(2-噁唑啉)的制备方法

  摘要：

  本发明涉及聚合物助剂合成技术领域，公开一种2,2’‑双(2‑噁唑啉)的制备方法，以廉价易得的草酸二甲酯为原料，在较低的温度、无溶剂或单一溶剂存在下与乙醇胺进行酯‑酰胺交换反应，过滤得到N,N’‑二(2‑羟乙基)草酰胺；N,N’‑二(2‑羟乙基)草酰胺与氯化亚砜在50‑90℃范围内逐步升温的条件下进行氯化反应，过滤得到N,N’‑二(2‑氯乙基)草酰胺；以甲醇或乙醇为单一溶剂，N,N’‑二(2‑氯乙基)草酰胺与无机碱在吸水剂存在下进行闭环反应，经过滤、结晶，得到高纯度的2,2’‑双(2‑噁唑啉)。结晶母液二次结晶可进一步提高产率；反应所用到的溶解可回收利用。该法过程简单、高效、节能、环保，合成成本低，产品的收率和纯度高。

  公开号：

  CN116332866A

文献信息

• Novel antibacterial agents
  申请人：Christensen G. Burton

  公开号：US20070134729A1

  公开（公告）日：2007-06-14

  This invention relates to novel multibinding compounds (agents) that are antibacterial agents. The multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands in their monovalent (i.e., unlinked) state have the ability to bind to a an enzyme involved in cell wall biosynthesis and metabolism, a precursor used in the synthesis of the bacterial cell wall and/or the bacterial cell surface thereby interfere with the synthesis and/or metabolism of the cell wall. In particular the multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands has a ligand domain capable of binding to penicillin binding proteins, a transpeptidase enzyme, a substrate of a transpeptidase enzyme, a beta-lactamase enzyme, pencillinase enzyme, cephalosporinase enzyme, a transglycoslase enzyme, or a transglycosylase enzyme substrate; Preferably, the ligands are selected from the beta lactam or glycopeptide class of antibacterial agents.

  本发明涉及一种新型多结合化合物（药剂），其为抗菌剂。该发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个单价（即未连接的）配体具有与细胞壁生物合成和代谢中的酶、合成细菌细胞壁和/或细菌细胞表面的前体有结合能力，从而干扰细胞壁的合成和/或代谢。特别地，本发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个配体具有能够结合青霉素结合蛋白、横向肽酶酶、横向肽酶酶底物、β-内酰胺酶、青霉素酶、头孢菌素酶、横向转移酶酶或横向转移酶酶底物的配体结构域。优选地，配体选自β-内酰胺类或糖肽类抗菌剂。
• Beta2-Adrenergic Receptor Agonists
  申请人：Moran Edmund J.

  公开号：US20080269344A1

  公开（公告）日：2008-10-30

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多结合化合物，其是β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Beta2-adrenergic receptor agonists
  申请人：Moran J. Edmund

  公开号：US20070179179A1

  公开（公告）日：2007-08-02

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多重结合化合物，其为β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Muscarinic receptor antagonists
  申请人：Aggen James

  公开号：US20090306134A1

  公开（公告）日：2009-12-10

  Disclosed are multibinding compounds which are muscarinic receptor antagonists. The multibinding compounds of this invention containing from 2 to 10 ligands covalently attached to one or more linkers. Each ligand is, independently of each other, a muscarinic receptor antagonist or an allosteric modulator provided that at least one of said ligand is a muscarinic receptor antagonist. The multibinding compounds of this invention are useful in the treatment and prevention of diseases such as chronic obstructive pulmonary disease, chronic bronchitis, irritable bowel syndrome, urinary incontinence, and the like.

  本发明涉及一种多结合化合物，其为肌动蛋白受体拮抗剂。该发明的多结合化合物包含2至10个配体共价连接到一个或多个连接体上。每个配体是独立的，可以是肌动蛋白受体拮抗剂或变构调节剂，但至少其中一个配体是肌动蛋白受体拮抗剂。本发明的多结合化合物在治疗和预防慢性阻塞性肺疾病、慢性支气管炎、肠易激综合征、尿失禁等疾病方面具有用途。
• The Synthesis of Potential Anticancer Agents. XXXVII. N-Nitrosoureas. III. 1,5-Bis(2-chloroethyl)-1-nitrosobiuret and Related Derivatives of Biurets, Biureas, and Carboxamides
  作者：Thomas P. Johnston、Pamela S. Opliger

  DOI：10.1021/jm00316a034

  日期：1967.7

表征谱图