N-苯基-N-氰基甲脒 | 59425-37-5

• 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: N-苯基-N-氰基甲脒
• 中文别名: N-苯基-N`-氰基甲酰胺
• 英文名称: N-cyano-N'-phenyl-formamidine
• 英文别名: N-Cyan-N'-phenyl-formamidin；N-Cyano-N'-phenylformimidamide；N-cyano-N'-phenylmethanimidamide
• CAS: 59425-37-5
• 化学式: C₈H₇N₃
• 分子量: 145.164
• InChiKey: GDTFNMGXZLJVEN-UHFFFAOYSA-N

物化性质

• 熔点：
  138-141 °C
• 沸点：
  254.27°C (rough estimate)
• 密度：
  1.2109 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S36,S37
• 危险类别码：
  R21/22
• 海关编码：
  2926909090

SDS

Name:	N-Phenyl-N'-Cyanoformamidine, 98% Material Safety Data Sheet
Synonym:	None
CAS:	59425-37-5

Section 1 - Chemical Product MSDS Name: N-Phenyl-N'-Cyanoformamidine, 98% Material Safety Data Sheet
Synonym: None

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
59425-37-5	N-Phenyl-N'-Cyanoformamidine	98	unlisted

Hazard Symbols: XN
Risk Phrases: 21/22

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Call a poison control center. 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:
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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.

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SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use only in a well-ventilated area. Minimize dust generation and accumulation. Avoid contact with skin and eyes. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Store in air tight containers.

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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# 59425-37-5: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 138 - 140 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H7N3
Molecular Weight: 145.17

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 59425-37-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Phenyl-N'-Cyanoformamidine - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 21/22 Harmful in contact with skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 59425-37-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 59425-37-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 59425-37-5 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: 2/26/1999 Revision #2 Date: 12/03/2002 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：

  特戊胺 、 N-苯基-N-氰基甲脒 以 水 为溶剂， 以96%的产率得到N'-(2,2-dimethylpropyl)-N-phenylmethanimidamide
  参考文献：
  名称：

  A New, Convenient Synthesis ofN ²-Aryl-N ¹-alkylformamidines andN ²-Aryl-N ¹,N ¹-dialkylformamidines

  摘要：

  N 2-芳基-N 1-烷基甲脒是通过芳香胺与 N-氰基甲酰胺亚胺乙酯反应生成 N 2-芳基-N 1-氰基甲脒而方便快速地制备的。将这种中间体加入过量的烷基胺或二烷基胺中，就能以高产率和令人满意的纯度生成标题化合物。本文提出并讨论了这一反应的机理。

  DOI：

  10.1055/s-1986-31586
• 作为产物：
  描述：

  N-氰基甲亚胺乙酯 、 苯胺 以 乙醇 为溶剂， 反应 2.0h， 以84%的产率得到N-苯基-N-氰基甲脒
  参考文献：
  名称：

  A New, Convenient Synthesis ofN ²-Aryl-N ¹-alkylformamidines andN ²-Aryl-N ¹,N ¹-dialkylformamidines

  摘要：

  N 2-芳基-N 1-烷基甲脒是通过芳香胺与 N-氰基甲酰胺亚胺乙酯反应生成 N 2-芳基-N 1-氰基甲脒而方便快速地制备的。将这种中间体加入过量的烷基胺或二烷基胺中，就能以高产率和令人满意的纯度生成标题化合物。本文提出并讨论了这一反应的机理。

  DOI：

  10.1055/s-1986-31586

文献信息

• Comstock; Wheeler, American Chemical Journal, 1891, vol. 13, p. 522
  作者：Comstock、Wheeler

  DOI：——

  日期：——
• Fedgenhaeuer; Moll, Zeitschrift fur Chemie, 1980, vol. 20, # 4, p. 141 - 142
  作者：Fedgenhaeuer、Moll

  DOI：——

  日期：——
• FEDGENHAUER H.; MOLL R., Z. CHEM., 1980, 20, NO 4, 141
  作者：FEDGENHAUER H.、 MOLL R.

  DOI：——

  日期：——
• CEREDA, E.;BELLORA, E.;DONETTI, A., SYNTHESIS, BRD, 1986, N 4, 288-291
  作者：CEREDA, E.、BELLORA, E.、DONETTI, A.

  DOI：——

  日期：——
• GEWALD K.; SCHAEFER H.; MAUERSBERGER K., Z. CHEM. <ZECE-AL>, 1977, 17, NO 6, 223-224
  作者：GEWALD K.、 SCHAEFER H.、 MAUERSBERGER K.

  DOI：——

  日期：——