6336-68-1 (4-哌啶磺酰基苯胺,4-(piperidine-1-sulfonyl)aniline)

CAS号:
6336-68-1
中文名称:
4-哌啶磺酰基苯胺
英文名称:
4-(piperidine-1-sulfonyl)aniline
分子式:
C11H16N2O2S
分子量:
240.321941375732

4-哌啶磺酰基苯胺(6336-68-1)名称与标识符

名称

中文别名:
4-(哌啶-1-磺酰基)-苯胺;4-哌啶磺酰苯胺;4-哌啶磺酰基苯胺;
英文别名:
4-(Piperidin-1-ylsulfonyl)aniline;4-(1-Piperidinylsulfonyl)aniline;4-(PIPERIDINE-1-SULFONYL)-PHENYLAMINE;4-(PIPERIDINOSULFONYL)ANILINE;4-piperidin-1-ylsulfonylaniline;Benzenamine,4-(1-piperidinylsulfonyl)-;4-(piperidin-1-sulfonyl)phenylamine;4-(piperidin-1-ylsulphonyl)aniline;4-(piperidine-1-sulfonyl)aniline;4-(piperidylsulfonyl)aniline;4-(piperidylsulfonyl)phenylamine;4-Aminophenylsulphonylpiperidine;Maybridge1_000153;Piperidine, 1-[(4-aminophenyl)sulfonyl]-;SCHEMBL165129;AB00082842-01;Cambridge id 5358277;AKOS000268424;Oprea1_776541;4-(1-Piperidinylsulfonyl)benzenamine;MixCom1_000285;DB-014341;4-(1-Piperidinylsulfonyl)aniline #;NSC-39342;SDCCGMLS-0066274.P001;A834345;4-((piperidin-1-yl)sulfonyl)aniline;4-(1-piperidinylsulfonyl)phenylamine;DTXSID50284853;AE-641/00396057;N-[4-(amino)phenylsulfonyl]-piperidine;MFCD00276969;SB43542;STK053489;Z56792396;F1591-0987;N-[4-(amino)phenylsulfonyl]piperidine;6336-68-1;Oprea1_234254;F88047;NSC39342;EN300-02199;VU0016399-3;CS-0206688;N-(4-Aminophenylsulphonyl)piperidine;LS-01043;p-piperidinylsulfonyl phenylamine;Piperidine, 1-[(4-aminophenyl)sulphonyl]-;ALBB-000060;4-(piperidin-1-ylsulfonyl) aniline;4-(piperidin-1-ylsulfonyl)-aniline;

标识符

MDL:
MFCD00276969
InChIKey:
ZTTBIWZAAMPNBE-UHFFFAOYSA-N
Inchi:
1S/C11H16N2O2S/c12-10-4-6-11(7-5-10)16(14,15)13-8-2-1-3-9-13/h4-7H,1-3,8-9,12H2
SMILES:
S(C1C=CC(=CC=1)N)(N1CCCCC1)(=O)=O

4-哌啶磺酰基苯胺(6336-68-1)物化性质

实验特性

  • LogP : 3.04330
  • PSA : 71.78000
  • 折射率 : 1.602
  • 沸点 : 419.3°C at 760 mmHg
  • 熔点 : 169 °C
  • 闪点 : 207.4°C
  • 密度 : 1.284

计算特性

  • 精确分子量 : 240.09300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 240.093
  • 重原子数量 : 16
  • 复杂度 : 309
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 71.8A^2

4-哌啶磺酰基苯胺(6336-68-1)安全信息

4-哌啶磺酰基苯胺(6336-68-1)海关数据

海关编码:
2935009090
海关数据:

中国海关编码:

2935009090

概述:

2935009090 其他磺(酰)胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%

申报要素:

品名, 成分含量, 用途

Summary:

2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

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4-哌啶磺酰基苯胺(6336-68-1)相关文献

4-哌啶磺酰基苯胺(6336-68-1) MSDS

基础信息

Name:4-(Piperidinosulfonyl)aniline 97% Material Safety Data Sheet
Synonym:
CAS:6336-68-1
Section 1 - Chemical Product ? MSDS Name:4-(Piperidinosulfonyl)aniline 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
6336-68-14-(Piperidinosulfonyl)aniline97%unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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.

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.

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6336-68-1: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 166 - 170 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: C11H16N2O2S
Molecular Weight: 240

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 6336-68-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Piperidinosulfonyl)aniline - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 6336-68-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6336-68-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6336-68-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A