4,6-二氯-3-苯基哒嗪 | 40020-05-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4,6-二氯-3-苯基哒嗪
• 中文别名: 3,5-二氯-6-苯基哒嗪
• 英文名称: 3-Phenyl-4,6-dichloropyridazine
• 英文别名: 3,5-Dichloro-6-phenylpyridazine；3-Phenyl-4,6-dichlorpyridazin；4,6-Dichloro-3-phenylpyridazine
• CAS: 40020-05-1
• 化学式: C₁₀H₆Cl₂N₂
• mdl: MFCD00101159
• 分子量: 225.077
• InChiKey: PPYSGGOWIZSMJL-UHFFFAOYSA-N

物化性质

• 熔点：
  83-84
• 沸点：
  381℃
• 密度：
  1.363
• 闪点：
  216℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 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
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	4 6-Dichloro-3-phenylpyridazine 97% Material Safety Data Sheet
Synonym:
CAS:	40020-05-1

Section 1 - Chemical Product MSDS Name:4 6-Dichloro-3-phenylpyridazine 97% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
40020-05-1	4,6-Dichloro-3-phenylpyridazine	97%	unlisted

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

---

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.

---

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.

---

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.

---

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:
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.

---

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# 40020-05-1: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 83 - 84 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: C10H6Cl2N2
Molecular Weight: 225

---

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

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 40020-05-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,6-Dichloro-3-phenylpyridazine - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

---

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# 40020-05-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40020-05-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40020-05-1 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：

  4,6-二氯-3-苯基哒嗪 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以88%的产率得到5-Azido-3-chloro-6-phenylpyridazine
  参考文献：
  名称：

  Ring Closure of 4-Azido-3-phenyl-pyridazines to Pyridazino[4,3-b]indoles

  摘要：

  4-叠氮基-3-苯基吡嗪和7-叠氮基-6-苯基四唑[1,5-b]吡嗪在强酸如甲基磺酸的加热下发生环化反应，分别生成5H-吡嗪并[4,3-b]吲哚或10H-四唑[1′,5′:1,6]吡嗪并[4,3-b]吲哚，而传统的光化学或热解方法则失败。

  DOI：

  10.1055/s-1989-27395
• 作为产物：
  描述：

  6-苯基-3-哒嗪酮 在 五氯化磷 、 三氯氧磷 作用下， 反应 4.5h， 以95.3%的产率得到4,6-二氯-3-苯基哒嗪
  参考文献：
  名称：

  3-苯基-4-6-二氯哒嗪的制备方法

  摘要：

  本发明涉及一种3‑苯基‑4‑6‑二氯哒嗪的制备方法，其特征为在6‑苯基‑3‑哒嗪酮中加入氯化剂、溶剂和催化剂；化剂为五氯化磷；溶剂为三氯氧磷；催化剂为改性ZSM‑5分子筛；然后将反应溶液升温至85～95℃，保温反应0.5～1小时，升温至105～115℃回流反应3～5小时后反应结束，再将反应溶液减压蒸馏除去三氯氧磷，减压蒸馏的温度为105～125℃，真空度为‑0.1～‑0.09MPa；减压蒸馏结束后冷却至常温，然后加入6‑苯基‑3‑哒嗪酮重量1～3倍的甲苯，搅拌后升温重结晶过滤，结晶在75～85℃温度下烘干后得成品3‑苯基‑4‑6‑二氯哒嗪。本发明具有杂质产生少、便于成品分离、减少废水产生及提高收率的优点。

  公开号：

  CN106831600B

文献信息

• Synthesis of Aminopyridazines from Azidopyridazines and Tetrazolo[1,5-<i>b</i>]pyridazines
  作者：Th. Kappe、A. Pfaffenschlager、W. Stadlbauer

  DOI：10.1055/s-1989-27352

  日期：——

  Azidopyridazines 3, 4, 24 and tetrazolo[1,5-b]pyridazines 10, 13, 28 can be converted to the corresponding aminopyridazines, by reaction with triphenylphosphine via phosphazenes and subsequent hydrolysis (Staudinger reaction).

  叠氮吡哒嗪3、4、24和四唑并[1,5-b]吡哒嗪10、13、28可通过与三苯基膦反应生成膦嗪并随后进行水解（Staudinger反应），转化为相应的氨基吡哒嗪。
• PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME
  申请人：Usher III Initiative

  公开号：US20140121197A1

  公开（公告）日：2014-05-01

  Compounds, compositions and methods for the treatment of retinal degenerative diseases, such as retinitis pigmentosa, Leber's congenital Amaurosis, Syndromic retinal degenerations, age-related macular degeneration and Usher Syndrome, and hearing loss associated with Usher Syndrome are described herein.

  本文描述了用于治疗视网膜退行性疾病（如视网膜色素变性症、勒伯先天性失明、综合性视网膜退行、老年性黄斑变性和阿什尔综合征）以及与阿什尔综合征相关的听力损失的化合物、组合物和方法。
• PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME
  申请人：USHER III INITIATIVE

  公开号：US20140121205A1

  公开（公告）日：2014-05-01

  Compounds, compositions and methods for the treatment of retinal degenerative diseases, such as retinitis pigmentosa, Leber's congenital Amaurosis, Syndromic retinal degenerations, age-related macular degeneration and Usher Syndrome, and hearing loss associated with Usher Syndrome are described herein.

  这里描述了用于治疗视网膜退行性疾病的化合物、组合物和方法，例如视网膜色素变性、勒伯先天性失明、综合性视网膜退行、老年性黄斑变性和阿什尔综合征，以及与阿什尔综合征相关的听力丧失。
• [EN] PYRAZOLOPYRIDAZINES AND METHODS FOR TREATING RETINAL-DEGENERATIVE DISEASES AND HEARING LOSS ASSOCIATED WITH USHER SYNDROME<br/>[FR] PYRAZOLOPYRIDAZINES ET MÉTHODES DE TRAITEMENT DES MALADIES DÉGÉNÉRATIVES DE LA RÉTINE ET LA PERTE D'AUDITION ASSOCIÉE AU SYNDROME DE USHER
  申请人：USHER III INITIATIVE

  公开号：WO2012148994A1

  公开（公告）日：2012-11-01

  Compounds, compositions and methods for the treatment of retinal degenerative diseases, such as retinitis pigmentosa, Leber's congenital Amaurosis, Syndromic retinal degenerations, age-related macular degeneration and Usher Syndrome, and hearing loss associated with Usher Syndrome are described herein.

  本文描述了用于治疗视网膜退行性疾病的化合物、组合物和方法，例如视网膜色素变性、勒伯遗传性黄斑变性、综合性视网膜退行性疾病、老年性黄斑变性和厄舍综合征，以及与厄舍综合征相关的听力丧失。
• Herbicidal n-cyanopyridazinones
  申请人：Sandoz Ltd.

  公开号：US05462914A1

  公开（公告）日：1995-10-31

  Novel herbicidal N-cyanopyridazinones of the general formula ##STR1## in which the radicals R.sub.1, R.sub.2 and R.sub.3 independently of one another denote hydrogen, halogen, amino, nitro, cyano, alkyl, aryl, aralkyl, alkoxy or aryloxy groups, a process for their preparation, a herbicidal composition comprising them, and a method of controlling weeds.

  一种通用式为##STR1##的新型除草剂N-氰基吡啉酮，其中基团R.sub.1、R.sub.2和R.sub.3分别独立表示氢、卤素、氨基、硝基、氰基、烷基、芳基、芳基烷基、烷氧基或芳氧基，以及其制备方法、含有它们的除草剂组合物，以及控制杂草的方法。