2,2-二氯-1,4-丁烷二醇 | 119450-47-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 中文名称: 2,2-二氯-1,4-丁烷二醇
• 中文别名: 2,2-二氯十八碳醛
• 英文名称: 2,2-dichlorooctadecanal
• CAS: 119450-47-4
• 化学式: C₁₈H₃₄Cl₂O
• 分子量: 337.373
• InChiKey: GKOQLKJPOZCMBN-UHFFFAOYSA-N

物化性质

• 沸点：
  150 °C
• 稳定性/保质期：
  遵循规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  21
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	2 2-Dichlorooctadecanal 90% Material Safety Data Sheet
Synonym:	Octadecanal, 2,2-dichloro-
CAS:	119450-47-4

Section 1 - Chemical Product MSDS Name:2 2-Dichlorooctadecanal 90% Material Safety Data Sheet
Synonym:Octadecanal, 2,2-dichloro-

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
119450-47-4	2,2-Dichlorooctadecanal	90	unlisted

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

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

---

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.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid breathing vapor or mist.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

---

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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 119450-47-4: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 150 - 156 deg C @ .06mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 190 deg C ( 374.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C18H34Cl2O
Molecular Weight: 337.36

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 119450-47-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2-Dichlorooctadecanal - Not listed by ACGIH, IARC, or NTP.

---

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# 119450-47-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 119450-47-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 119450-47-4 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,2-二氯-1,4-丁烷二醇 在 双氧水 、 碳酸氢钠 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以10%的产率得到十七烷酸
  参考文献：
  名称：

  Buyck, L. De; Casaert, F.; Lepeleire, C. De, Bulletin des Societes Chimiques Belges, 1988, vol. 97, # 7, p. 525 - 534

  摘要：

  DOI：
• 作为产物：
  描述：

  硬脂醇 在 氯 、 magnesium chloride 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到2,2-二氯-1,4-丁烷二醇
  参考文献：
  名称：

  Buyck, L. De; Casaert, F.; Lepeleire, C. De, Bulletin des Societes Chimiques Belges, 1988, vol. 97, # 7, p. 525 - 534

  摘要：

  DOI：

文献信息

• Novel Boronic Acid Mannich Reactions of α,α-Dichloro- and α,α,ω-Tri­chloro­aldehydes with Arylboronic Acids
  作者：Kourosch Abbaspour Tehrani、Sara Stas

  DOI：10.1055/s-2007-965880

  日期：2007.2

  A novel variation of the boronic acid Mannich (BAM) reaction is described, in which α,α-dichloro- and α,α,ω-trichloroal-dehydes, morpholine, and arylboronic acids are used. During this one-pot reaction in refluxing toluene, 1 -phenyl- 1-morpholinoalkan-2-ones form in moderate yields. The dichloromethylene group is formally converted into a ketone functionality and as such acts as a masked carbonyl

  描述了硼酸曼尼希 (BAM) 反应的一种新变体，其中使用了 α,α-二氯和 α,α,ω-三氯醛、吗啉和芳基硼酸。在回流甲苯中的这一单锅反应期间，1-苯基-1-吗啉代烷-2-酮以中等收率形成。二氯亚甲基正式转化为酮官能团，因此充当掩蔽羰基。
• EP0946556A4
  申请人：——

  公开号：EP0946556A4

  公开（公告）日：2001-07-04
• COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES
  申请人：ELI LILLY AND COMPANY

  公开号：EP0946556A1

  公开（公告）日：1999-10-06
• COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS
  申请人：ELI LILLY AND COMPANY

  公开号：EP0973936A1

  公开（公告）日：2000-01-26
• COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR
  申请人：ELI LILLY AND COMPANY

  公开号：EP1015479A1

  公开（公告）日：2000-07-05