2-(羟基亚氨基)-1-((4-甲基苯基)磺酰基)-2-乙胺 | 72660-98-1

• 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: 2-(羟基亚氨基)-1-((4-甲基苯基)磺酰基)-2-乙胺
• 中文别名: N'-羟基-2-[[（4-甲基苯基）磺酰基]乙酰胺基酰胺
• 英文名称: N-hydroxy-2-(toluene-4-sulfonyl)-acetamidine
• 英文别名: 2-(toluene-4-sulfonyl)-acetamide oxime；2-(Toluol-4-sulfonyl)-acetamidoxim；p-Tolylsulfon-aethylenamidoxim；p-Tolylsulfon-acetamidoxim；2-(Hydroxyimino)-1-((4-methylphenyl)sulfonyl)eth-2-ylamine；N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide
• CAS: 72660-98-1
• 化学式: C₉H₁₂N₂O₃S
• mdl: MFCD00955443
• 分子量: 228.272
• InChiKey: ZPEOWHYBZZPAEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2925290090

SDS

Name:	N -Hydroxy-2-[(4-methylphenyl)sulfonyl]ethanimidamide Material Safety Data Sheet
Synonym:	None Known
CAS:	72660-98-1

Section 1 - Chemical Product MSDS Name:N -Hydroxy-2-[(4-methylphenyl)sulfonyl]ethanimidamide Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
72660-98-1	N'-Hydroxy-2-[(4-methylphenyl)sulfonyl	97+	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. 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:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under an inert atmosphere.

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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# 72660-98-1: 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:
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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 204-207 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: C9H12N2O3S
Molecular Weight: 228.27

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 72660-98-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N'-Hydroxy-2-[(4-methylphenyl)sulfonyl]ethanimidamide - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
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.
WGK (Water Danger/Protection)
CAS# 72660-98-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 72660-98-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 72660-98-1 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：

  2-(羟基亚氨基)-1-((4-甲基苯基)磺酰基)-2-乙胺 在 肼 作用下， 反应 2.0h， 生成 3-(toluene-4-sulfonylmethyl)-[1,2,4]oxadiazole-5-carboxylic acid hydrazide
  参考文献：
  名称：

  Santilli,A.A.; Morris,R.L., Journal of Heterocyclic Chemistry, 1979, vol. 16, p. 1197 - 1200

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲苯磺酰乙腈 在 乙醇 、 盐酸羟胺 、 水 、 sodium carbonate 作用下， 生成 2-(羟基亚氨基)-1-((4-甲基苯基)磺酰基)-2-乙胺
  参考文献：
  名称：

  Troeger; Volkmer, Journal fur praktische Chemie (Leipzig 1954), 1905, vol. <2> 71, p. 243

  摘要：

  DOI：

文献信息

• Troeger; Volkmer, Journal fur praktische Chemie (Leipzig 1954), 1905, vol. <2> 71, p. 243
  作者：Troeger、Volkmer

  DOI：——

  日期：——
• SANTILLI A. A.; MORRIS R. L., J. HETEROCYCL. CHEM., 1979, 16, NO 6, 1197-1200
  作者：SANTILLI A. A.、 MORRIS R. L.

  DOI：——

  日期：——
• Santilli,A.A.; Morris,R.L., Journal of Heterocyclic Chemistry, 1979, vol. 16, p. 1197 - 1200
  作者：Santilli,A.A.、Morris,R.L.

  DOI：——

  日期：——