Alpha,Β-二氯丙烯腈 | 22410-58-8

• 物质功能分类: 化学试剂 - 有机试剂 - 氰化物/腈
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: Alpha,Β-二氯丙烯腈
• 中文别名: Α,Β-二氯丙烯腈；α,β-二氯丙烯腈
• 英文名称: 2,3-dichloroacrylonitrile
• 英文别名: α,β-dichloroacrylonitrile；2,3-Dichloro-2-propenenitrile；2,3-dichloroprop-2-enenitrile
• CAS: 22410-58-8
• 化学式: C₃HCl₂N
• 分子量: 121.954
• InChiKey: NDWDVOQVCRKCDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  50-52 °C (50 mmHg)
• 密度：
  1.6093 (rough estimate)
• 稳定性/保质期：

  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  F,T-F,T
• 安全说明：
  S16,S26,S36/37/39,S45
• 危险类别码：
  R23/24/25,R40,R36/37/38,R11
• 海关编码：
  2926909090

SDS

Name:	alpha,beta-Dichloroacrylonitrile, 98% Material Safety Data Sheet
Synonym:	2,3-Dichloro-2-propenenitrile; 2,3-Dichloroacrylonitrile.
CAS:	22410-58-8

Section 1 - Chemical Product MSDS Name: alpha,beta-Dichloroacrylonitrile, 98% Material Safety Data Sheet
Synonym: 2,3-Dichloro-2-propenenitrile; 2,3-Dichloroacrylonitrile.

---

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
22410-58-8	alpha,beta-Dichloroacrylonitrile	98	244-964-2

Hazard Symbols: XI
Risk Phrases: 36/37/38

---

SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
Causes respiratory tract irritation. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
Chronic:
No information found.

---

SECTION 4 - FIRST AID MEASURES
Eyes:
Immediately 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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

---

SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

---

SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Use only with adequate ventilation. Keep away from heat, sparks and flame. Pure vapor will be uninhibited and may polymerize in vents or other confined spaces.
Storage:
Keep away from sources of ignition. 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# 22410-58-8: Personal Protective Equipment
Eyes:
Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

---

SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Liquid
Color: clear, colorless to pale yellow
Odor: Irritating odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 50-52 deg C @ 50 mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 20 deg C ( 68.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C3HCl2N
Molecular Weight: 121.96

---

SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Light, ignition sources, excess heat, confined spaces.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: May occur.

---

SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 22410-58-8: AT5950000
LD50/LC50:
Not available.
Inhalation LCLo mouse: 910 mg/m3/10M.
Carcinogenicity:
alpha,beta-Dichloroacrylonitrile - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

---

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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.

---

SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 22410-58-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 22410-58-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 22410-58-8 is not listed on the TSCA inventory. It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 2/08/1999 Revision #3 Date: 10/21/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  Alpha,Β-二氯丙烯腈 、 氟里昂-22 生成 2-chloro-3,3-difluoro-acrylonitrile
  参考文献：
  名称：

  SU455951

  摘要：

  公开号：
• 作为产物：
  描述：

  2,2,3-三氯丙腈 以 喹啉 为溶剂， 以204.0 g (88%)的产率得到Alpha,Β-二氯丙烯腈
  参考文献：
  名称：

  Alpha-halo-.beta.-(substituted)thioacrylonitriles and their use for

  摘要：

  在水系中作为抗微生物剂有用的是公式为##STR1##的.alpha.-卤代.beta.-(取代)硫丙烯腈，其中X代表Cl、Br或I，R代表较低的烷基、芳基、芳基烷基、杂环或硫代羰基。双键周围的构型可以是E或Z或二者的混合物。这些化合物有效控制微生物生长。公式I的衍生物通过涉及（a）卤代反应、（b）脱卤反应和（c）亲核型置换的三步过程从丙烯腈经济制备而成。除了那些X为溴且R为甲基或苯基的化合物外，公式I的化合物在先前的文献中没有提及。

  公开号：

  US05039702A1

文献信息

• 一种色瑞替尼中间体及色瑞替尼的制备方法
  申请人：新发药业有限公司

  公开号：CN109748885B

  公开（公告）日：2020-08-11

  本发明涉及一种色瑞替尼中间体及色瑞替尼的制备方法。所述色瑞替尼中间体化合物为4‑异丙氧基‑5‑胍基‑2‑N‑取代哌啶‑4‑基甲苯硝酸盐(Ⅶ)，其制备方法是利用2‑硝基‑4,5‑二甲基氯苯和异丙醇于碱存在下，经取代反应生成化合物III，然后和卤代乙醛缩二醇缩合、氨‑氯化铵‑硼氢化钠还原成环得到化合物Ⅳ；经过氨基保护得化合物Ⅴ；然后于溶剂中催化加氢还原硝基为氨基得到化合物Ⅵ；化合物Ⅵ和氰胺反应制备化合物Ⅶ。本发明还提供一种利用化合物Ⅶ制备色瑞替尼的方法。本发明方法原料价廉易得，操作简便，各单元反应选择性高，废水量少，绿色环保。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：SELCIA LTD

  公开号：WO2010029364A1

  公开（公告）日：2010-03-18

  The present invention relates to new therapeutic and prophylactic applications of known compounds of general formula (Ia), novel compounds of formula (1a) wherein R3 is methyl, and to compositions comprising them, useful as a medication for the topical therapeutic and prophylactic treatment of dermatological and ophthalmic disorders, rheumatoid arthritis and osteoarthritis.

  本发明涉及一般式(Ia)已知化合物的新治疗和预防应用，一般式(1a)中R3为甲基的新化合物，以及包含它们的组合物，用作治疗和预防皮肤病和眼科疾病、类风湿性关节炎和骨关节炎的局部药物。
• Compounds
  申请人：Jones Andrew

  公开号：US20110184011A1

  公开（公告）日：2011-07-28

  The present invention relates to new therapeutic and prophylactic applications of known compounds of general formula (Ia), novel compounds of formula (Ia) wherein R3 is methyl, and to compositions comprising them, useful as a medication for the topical therapeutic and prophylactic treatment of dermatological and ophthalmic disorders, rheumatoid arthritis and osteoarthritis.

  本发明涉及已知通式（Ia）化合物的新治疗和预防应用，通式（Ia）中的新化合物为R3为甲基的化合物，以及包含它们的组合物，作为用于治疗皮肤病和眼科疾病、类风湿性关节炎和骨关节炎的局部治疗和预防药物。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.9, 7, page 50 - 101
  作者：

  DOI：——

  日期：——