6-氯-8-(氯甲基)-4H-4,3-苯并二唑 | 175136-61-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 中文名称: 6-氯-8-(氯甲基)-4H-4,3-苯并二唑
• 中文别名: 6-氯-8-(氯甲基)-4H-苯并[d][1,3]二噁英
• 英文名称: 6-chloro-8-chloromethyl-4H-benzo[1,3]dioxin
• 英文别名: 6-Chlor-8-chlormethyl-4H-benzo[1,3]dioxin；6-chloro-8-(chloromethyl)-4H-1,3-benzodioxine
• CAS: 175136-61-5
• 化学式: C₉H₈Cl₂O₂
• mdl: MFCD00053071
• 分子量: 219.067
• InChiKey: VEWSVLVKOXZHGM-UHFFFAOYSA-N

物化性质

• 熔点：
  101 °C
• 沸点：
  351.5±42.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 海关编码：
  2932999099

SDS

Name:	6-Chloro-8-(chloromethyl)-4h-1 3-benzodioxine 97% Material Safety Data Sheet
Synonym:	6-Chloro-8-chloromethylbenzo-1,3-dioxin
CAS:	175136-61-5

Section 1 - Chemical Product MSDS Name:6-Chloro-8-(chloromethyl)-4h-1 3-benzodioxine 97% Material Safety Data Sheet
Synonym:6-Chloro-8-chloromethylbenzo-1,3-dioxin

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175136-61-5	6-Chloro-8-(chloromethyl)-4H-1,3-benzo	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

---

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.
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:
Vacuum or sweep up material and place into a suitable disposal container.

---

Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

---

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# 175136-61-5: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 99 - 101 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H8Cl2O2
Molecular Weight: 219

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175136-61-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Chloro-8-(chloromethyl)-4H-1,3-benzodioxine - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 175136-61-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175136-61-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175136-61-5 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：

  6-氯-8-(氯甲基)-4H-4,3-苯并二唑 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 6-chloro-8-chloromethyl-benzo[1,3]dioxin-4-one
  参考文献：
  名称：

  Proof of Structure of 6-Chloro-8-chloromethyl-1,3-benzodioxane by Oxidation¹

  摘要：

  DOI：

  10.1021/ja01861a049
• 作为产物：
  描述：

  聚合甲醛 、 间二甲苯-2,alpha,alpha'-三醇 在 盐酸 、 硫酸 、 水 作用下， 生成 6-氯-8-(氯甲基)-4H-4,3-苯并二唑
  参考文献：
  名称：

  Ziegler, Chemische Berichte, 1944, vol. 77/79, p. 731,734

  摘要：

  DOI：

文献信息

• [EN] GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY<br/>[FR] COMPOSES MODULATEURS DE RECEPTEURS DE GLUCOCORTICOIDE ET PROCEDES
  申请人：LIGAND PHARM INC

  公开号：WO2005082909A1

  公开（公告）日：2005-09-09

  Provided herein are compounds of Formula (I) and pharmaceutically acceptable derivatives thereof. Certain of such compounds are selective glucocorticoid receptor modulators and/or selective glucocorticoid binding agents. Also provided are methods of making and using such compounds, including, but not limited to, using such compounds for treating various conditions.

  本文提供了式（I）的化合物及其药用可接受的衍生物。其中某些化合物是选择性糖皮质激素受体调节剂和/或选择性糖皮质激素结合剂。还提供了制备和使用这些化合物的方法，包括但不限于使用这些化合物治疗各种疾病。
• Aromatic thioether liver X-receptor modulators
  申请人：Pharmacia Corporation

  公开号：US20030207898A1

  公开（公告）日：2003-11-06

  The present invention is directed to selective LXR modulators, small molecule compounds corresponding to Formula I and is further directed to a process of treating a condition in a mammal that is modulated by LXR using a therapeutically effective dose of a compound of Formula I.

  本发明涉及选择性LXR调节剂，即与式I相对应的小分子化合物，并进一步涉及使用式I化合物的治疗有效剂量来治疗哺乳动物中由LXR调节的病症的方法。
• ABCA-1 elevating compounds
  申请人：——

  公开号：US20020111364A1

  公开（公告）日：2002-08-15

  The present invention provides compounds that elevate cellular expression of the ABCA-1 gene, promoting cholesterol efflux from cells and increasing HDL levels in the plasma of a mammal, in particular humans. The compounds are useful for treating coronary artery disease.

  本发明提供了一些化合物，可以提高ABCA-1基因的细胞表达，促进细胞中胆固醇的外排，并增加哺乳动物，特别是人类血浆中的高密度脂蛋白水平。这些化合物对于治疗冠状动脉疾病非常有用。
• Glucocorticoid receptor modulator compounds and methods
  申请人：Zhi Lin

  公开号：US20070281959A1

  公开（公告）日：2007-12-06

  Disclosed herein are compounds of Formula I: and pharmaceutically acceptable salts, esters, amides, and prodrugs thereof. Certain of such compounds are selective glucocorticoid receptor modulators and/or selective glucocorticoid binding agents. Also disclosed are methods of making and using such compounds, including, but not limited to, using such compounds for treating various conditions.

  本文公开了I式化合物及其药物可接受的盐、酯、酰胺和前药。其中某些化合物是选择性糖皮质激素受体调节剂和/或选择性糖皮质激素结合剂。还公开了制备和使用这些化合物的方法，包括但不限于使用这些化合物治疗各种疾病的方法。
• Glucocorticoid Receptor Modulator Compounds and Methods
  申请人：Zhi Lin

  公开号：US20090105292A9

  公开（公告）日：2009-04-23

  Disclosed herein are compounds of Formula I: and pharmaceutically acceptable salts, esters, amides, and prodrugs thereof. Certain of such compounds are selective glucocorticoid receptor modulators and/or selective glucocorticoid binding agents. Also disclosed are methods of making and using such compounds, including, but not limited to, using such compounds for treating various conditions.

  本文公开了I式化合物及其药物可接受的盐，酯，酰胺和前药。其中某些化合物是选择性糖皮质激素受体调节剂和/或选择性糖皮质激素结合剂。还公开了制备和使用这些化合物的方法，包括但不限于使用这些化合物治疗各种疾病。