4,5-二氯-2-(2,6-二氯苄基)-2,3-二氢哒嗪-3-酮 | 175135-43-0

• 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: 4,5-二氯-2-(2,6-二氯苄基)-2,3-二氢哒嗪-3-酮
• 英文名称: 4,5-dichloro-2-(2,6-dichlorobenzyl)pyridazin-3(2H)-one
• 英文别名: 4,5-Dichloro-2-(2,6-dichlorobenzyl)-2,3-dihydropyridazin-3-one；4,5-dichloro-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one
• CAS: 175135-43-0
• 化学式: C₁₁H₆Cl₄N₂O
• mdl: MFCD00067772
• 分子量: 323.993
• InChiKey: BLVZIWZCWVGXHW-UHFFFAOYSA-N

物化性质

• 熔点：
  158 °C
• 沸点：
  393.8±52.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090

SDS

Name:	4 5-Dichloro-2-(2 6-dichlorobenzyl)-2 3-dihydropyridazin-3-one 97% Material Safety Data Sheet
Synonym:	4,5-Dichloro-2-(2,6-dichlorobenzyl)pyridazine-3(2H)-on
CAS:	175135-43-0

Section 1 - Chemical Product MSDS Name:4 5-Dichloro-2-(2 6-dichlorobenzyl)-2 3-dihydropyridazin-3-one 97% Material Safety Data Sheet
Synonym:4,5-Dichloro-2-(2,6-dichlorobenzyl)pyridazine-3(2H)-on

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175135-43-0	4,5-Dichloro-2-(2,6-dichlorobenzyl)-2,	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: 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.
Ingestion:
Get medical aid. Wash mouth out with water.
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:
Treat symptomatically and supportively.

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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 water spray, dry chemical, carbon dioxide, or chemical foam.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 175135-43-0: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 158 - 160 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: C11H6Cl4N2O
Molecular Weight: 324

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175135-43-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,5-Dichloro-2-(2,6-dichlorobenzyl)-2,3-dihydropyridazin-3-one - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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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# 175135-43-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175135-43-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175135-43-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-苯基哌嗪 、 4,5-二氯-2-(2,6-二氯苄基)-2,3-二氢哒嗪-3-酮 、 2-甲基-3-丁炔-2-醇 在 sodium azide 、 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 以40%的产率得到2-[(2,6-Dichlorophenyl)methyl]-5-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-(4-phenylpiperazin-1-yl)pyridazin-3-one
  参考文献：
  名称：

  A “Click and Activate” Approach in One-Pot Synthesis of a Triazolyl-Pyridazinone Library

  摘要：

  A "click and activate" strategy was designed and executed in a four-component, stepwise condensation that led to a trisubstituted triazolyl-pyridazinone library. This one-pot process included regioselective azide substitution at 2-substituted-4,5-dichloropyridazinones, followed by a Cu(l) catalyzed triazole formation which triggered subsequent nucleophilic substitution at the neighboring position to achieve three points of diversity.

  DOI：

  10.1021/ol200183b
• 作为产物：
  描述：

  4,5-二氯-3-羟基哒嗪 、 2,6-二氯苄基溴 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以56%的产率得到4,5-二氯-2-(2,6-二氯苄基)-2,3-二氢哒嗪-3-酮
  参考文献：
  名称：

  [EN] ANTIMICROBIAL AGENTS AND SCREENING METHODS
  [FR] AGENTS ANTIMICROBIENS ET PROCÉDÉS DE CRIBLAGE

  摘要：

  本公开涉及抗菌和抗微生物组合物及其使用方法。还公开了用于识别特异抑制DsbB或bVKOR的试剂的筛选分析方法。这些方法例如在鉴定抗菌和抗微生物试剂和组合物方面是有用的。

  公开号：

  WO2015143164A1

文献信息

• ANTIMICROBIAL AGENTS AND SCREENING METHODS
  申请人：PRESIDENT AND FELLOWS OF HARVARD COLLEGE

  公开号：US20170173008A1

  公开（公告）日：2017-06-22

  Disclosed herein are antibacterial and antimicrobial compositions and methods of use. Also disclosed are screening assays for identification of an agent that specifically inhibits DsbB or bVKOR. Such methods are useful, for example, in identifying antibacterial and antimicrobial agents and compositions.