5-(4-氯苯基)嘧啶-4-胺 | 35202-25-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 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: 5-(4-氯苯基)嘧啶-4-胺
• 英文名称: (5–(4-chlorophenyl)pyrimidin-4-amine)
• 英文别名: 5-(4-chloro-phenyl)-pyrimidin-4-ylamine；5-(4-Chlor-phenyl)-pyrimidin-4-ylamin；5-(4-chlorophenyl)-4-pyrimidinylamine；4-Amino-5-(p-chlor-phenyl)pyrimidin；4-Amino-5-(p-chlorophenyl)pyrimidin；4-Amino-5-p-chlorphenyl-pyrimidin；5-(4-Chlorophenyl)pyrimidin-4-amine
• CAS: 35202-25-6
• 化学式: C₁₀H₈ClN₃
• mdl: MFCD00238992
• 分子量: 205.647
• InChiKey: KGDRSRGXGBIWDQ-UHFFFAOYSA-N

物化性质

• 熔点：
  195-197°C
• 沸点：
  375.3±32.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)
• 溶解度：
  >30.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933599090

SDS

Name:	5-(4-Chlorophenyl)pyrimidin-4-amine, 95+% Material Safety Data Sheet
Synonym:
CAS:	35202-25-6

Section 1 - Chemical Product MSDS Name: 5-(4-Chlorophenyl)pyrimidin-4-amine, 95+% Material Safety Data Sheet
Synonym:

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
35202-25-6	5-(4-Chlorophenyl)pyrimidin-4-amine	95+%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 35202-25-6: 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: beige
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 195 - 197 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: C10H8ClN3
Molecular Weight: 206

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acid chlorides, halogens, halogenated agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 35202-25-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(4-Chlorophenyl)pyrimidin-4-amine - 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: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 35202-25-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 35202-25-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 35202-25-6 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 3/21/2003 Revision #0 Date: Original. 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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-(4-氯苯基)嘧啶-4-胺 、 2-三氟甲基苯甲酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以15%的产率得到N-[5-(4-chlorophenyl)pyrimidin-4-yl]-2-(trifluoromethyl)benzamide
  参考文献：
  名称：

  CARBOXAMIDES FOR CONTROLLING UNDESIRED MICRO-ORGANISMS IN PLANT PROTECTION

  摘要：

  提供了一种化合物的新型羧酰胺，其化学式为（I）。还提供了多种制备这些化合物的方法，以及它们用于控制不受欢迎微生物的用途，还有新型中间体及其制备。

  公开号：

  US20090163516A1
• 作为产物：
  描述：

  4-氨基苯乙腈盐酸盐 在 盐酸 、 sodium nitrite 作用下， 生成 5-(4-氯苯基)嘧啶-4-胺
  参考文献：
  名称：

  86.一种新颖的嘧啶合成。第二部分 4-氨基-5-芳基嘧啶

  摘要：

  DOI：

  10.1039/jr9450000352

文献信息

• KLUGE A. F., J. HETEROCYCL. CHEM., 1978, 15, NO 1, 119-121
  作者：KLUGE A. F.

  DOI：——

  日期：——
• CARBOXAMIDE ZUR BEKÄMPFUNG UNERWÜNSCHTER MIKROORGANISMEN IM PFLANZENSCHUTZ
  申请人：Bayer CropScience AG

  公开号：EP1966161A1

  公开（公告）日：2008-09-10
• [DE] CARBOXAMIDE ZUR BEKÄMPFUNG UNERWÜNSCHTER MIKROORGANISMEN IM PFLANZENSCHUTZ<br/>[EN] CARBOXAMIDES FOR CONTROLLING UNDESIRED MICRO-ORGANISMS IN PLANT PROTECTION<br/>[FR] CARBOXAMIDES POUR LUTTER CONTRE LES MICRO-ORGANISMES INDESIRABLES DANS LA PROTECTION PHYTOSANITAIRE
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2007068375A1

  公开（公告）日：2007-06-21

  [EN] The invention relates to novel carboxamides of formula (I), wherein R, R¹, X¹, X², X³, X⁴ and A have the meanings cited in the description. The invention also relates to several methods for producing said substances, to the use thereof for controlling undesired micro-organisms in plant protection, to intermediate products and to the production thereof.
  [FR] L'invention concerne de nouveaux carboxamides de la formule (I) où R, R¹, X¹, X², X³, X⁴ et A sont tels que définis dans la description, de nouveaux procédés de production de ces matières et leur utilisation pour lutter contre les micro-organsimes dans la protection phytosanitaire, ainsi que des produits intermédiaires et leur production.
  [DE] Neue Carboxamide der Formel (I), in welcher R, R¹, X¹, X², X³, X⁴ und A die in der Beschreibung angegebenen Bedeutungen haben, mehrere Verfahren zum Herstellen dieser Stoffe und deren Verwendung zum Bekämpfen von unerwünschten Mikroorganismen im Pflanzenschutz, sowie Zwischenprodukte und deren Herstellung.
• CARBOXAMIDES FOR CONTROLLING UNDESIRED MICRO-ORGANISMS IN PLANT PROTECTION
  申请人：Dunkel Ralf

  公开号：US20090163516A1

  公开（公告）日：2009-06-25

  Novel carboxamides of the formula (I) There are also provided a plurality of processes for preparing these compounds and their use for controlling unwanted microorganisms, and also novel intermediates and their preparation.

  提供了一种化合物的新型羧酰胺，其化学式为（I）。还提供了多种制备这些化合物的方法，以及它们用于控制不受欢迎微生物的用途，还有新型中间体及其制备。
• 86. A novel pyrimidine synthesis. Part II. 4-Amino-5-arylpyrimidines
  作者：W. H. Davies、A. W. Johnson、H. A. Piggott

  DOI：10.1039/jr9450000352

  日期：——