55512-05-5 (N-(3-甲酰基苯基)甲磺酰胺,N-(3-Formylphenyl)methanesulfonamide)

CAS号:
55512-05-5
中文名称:
N-(3-甲酰基苯基)甲磺酰胺
英文名称:
N-(3-Formylphenyl)methanesulfonamide
分子式:
C8H9NO3S
分子量:
199.226960897446
相关分类:

N-(3-甲酰基苯基)甲磺酰胺(55512-05-5)名称与标识符

名称

中文别名:
3-甲磺酰氨基苯甲醛;3-甲磺酰胺基苯甲醛;N-(3-甲酰基苯基)甲磺酰胺;
英文别名:
N-(3-Formylphenyl)methanesulfonamide;3-(Methylsulfonamido)benzaldehyde;Methanesulfonamide,N-(3-formylphenyl)-;N-(3-FORMYLPHENYL)METHANESULPHONAMIDE;CBDSSTWZEANOCR-UHFFFAOYSA-N;AKOS003296781;FT-0727475;SCHEMBL243260;Methanesulfonamide, N-(3-formylphenyl)-;EN300-66984;SY003551;N-(3-formyl-phenyl)-methanesulfonamide;DTXSID10383412;PS-3709;n-(3-formylphenyl) methanesulfonamide;Z1065768476;N-(3-formylphenyl)methanesulfonamide, AldrichCPR;MFCD03198179;55512-05-5;AC-3010;CS-0150124;ALBB-025099;STK149420;BBL002157;

标识符

MDL:
MFCD03198179
InChIKey:
CBDSSTWZEANOCR-UHFFFAOYSA-N
Inchi:
1S/C8H9NO3S/c1-13(11,12)9-8-4-2-3-7(5-8)6-10/h2-6,9H,1H3
SMILES:
S(C)(NC1C=CC=C(C=O)C=1)(=O)=O

N-(3-甲酰基苯基)甲磺酰胺(55512-05-5)物化性质

实验特性

  • LogP : 2.02440
  • PSA : 71.62000
  • 沸点 : 348.6℃ at 760 mmHg
  • 熔点 : 146 °C
  • 闪点 : 164.6℃

计算特性

  • 精确分子量 : 199.03000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 199.03031432g/mol
  • 重原子数量 : 13
  • 复杂度 : 268
  • 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) : 0.6
  • 拓扑分子极性表面积 : 71.6Ų

N-(3-甲酰基苯基)甲磺酰胺(55512-05-5)安全信息

N-(3-甲酰基苯基)甲磺酰胺(55512-05-5)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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N-(3-甲酰基苯基)甲磺酰胺(55512-05-5) MSDS

基础信息

Name:n-(3-Formylphenyl)methanesulfonamide Material Safety Data Sheet
Synonym:None Known
CAS:55512-05-5
Section 1 - Chemical Product ? MSDS Name:n-(3-Formylphenyl)methanesulfonamide Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
55512-05-5n-(3-Formylphenyl)methanesulfonamide97+%unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 42

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

Section 4 - FIRST AID MEASURES
? Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
Get medical aid. In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. 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.

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.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
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.
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# 55512-05-5: 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:
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: Off white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 146 - 147 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: C8H9NO3S
Molecular Weight: 199.23

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 55512-05-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
n-(3-Formylphenyl)methanesulfonamide - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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 42 May cause sensitization by inhalation.
Safety Phrases:
S 22 Do not breathe dust.
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# 55512-05-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 55512-05-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 55512-05-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A