5398-77-6 (对甲砜基苯甲醛,4-(Methylsulfonyl)benzaldehyde)

CAS号:
5398-77-6
中文名称:
对甲砜基苯甲醛
英文名称:
4-(Methylsulfonyl)benzaldehyde
分子式:
C8H8O3S
分子量:
184.212321281433

对甲砜基苯甲醛(5398-77-6)名称与标识符

名称

中文别名:
对甲砜基苯甲醛;4-甲磺酰基苯甲醛;4-甲基磺酰苯甲醛;4-甲基磺酰基苯甲醛;4-甲砜基苯甲醛;对甲磺酰基苯甲醛;对甲砜基苯甲醛0120;对甲砜基苯甲醛001;对甲砜基苯甲醛2;对甲砜基苯甲醛1;
英文别名:
4-(Methylsulfonyl)benzaldehyde;P-methylsufonyl benzaldehyde;4-Methylsulphonyl benzaldehyde;4-Methylsulfonylbenzaldehyde;p-Methylsulphonyl benzaldehyde;4-methanesulfonylbenzaldehyde;4-methylsulfonyl-benzaldehyde;4-methanesulfonyl-benzaldehyde;BENZALDEHYDE, 4-(METHYLSULFONYL)-;4-methylsulphonylbenzaldehyde;4-(methylsulphonyl)benzaldehyde;NSC3011;PubChem8151;p-methylsulfonylbenzaldehyde;p-methylsulfonyl-benzaldehyde;4-methylsulfonyl benzaldehyde;4-methanesulfonyl benzaldehyde;KSC493O1H;SCHE;4-METHYLSULPHONYLBENZALDEHYDE: 4-(METHYLSULFONYL)BENZALDEHYDE;4-Mesylbenzaldehyde;4-Methylsulphonyl benzaldehyde,95%;4-Methylsulphonyl benzaldehyde, 95% 2.5GR;4-Formylphenyl methyl sulphone;Benzaldehyde,4-(Methylsulfonyl)-;Of thiaMphenicol benzaldehyde;4-Methylsulphonyl be;BP-12660;AKOS005640659;PD193281;A7844;SCHEMBL607349;CS-W002526;AB04882;AM20061181;Z732216198;SY002002;PSVPUHBSBYJSMQ-UHFFFAOYSA-N;MFCD00216485;FT-0616804;5398-77-6;NSC-3011;LT0039;4-(Methylsulfonyl)benzaldehyde, AldrichCPR;FT-0635655;DTXSID00277593;PS-5995;p-Methylsulfonyl Benzaldehyde;EN300-51882;DTXCID90228751;4-Formylphenyl Methyl Sulfone; 4-Methanesulfonylbenzaldehyde; Methyl 4-Formylphenyl Sulfone; NSC 3011; p-(Methylsulfonyl)benzaldehyde;DB-052422;STK980611;

标识符

MDL:
MFCD00216485
InChIKey:
PSVPUHBSBYJSMQ-UHFFFAOYSA-N
Inchi:
1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3
SMILES:
S(C)(C1C=CC(C=O)=CC=1)(=O)=O

对甲砜基苯甲醛(5398-77-6)物化性质

实验特性

  • LogP : 1.98340
  • PSA : 59.59000
  • 折射率 : 1.54
  • 沸点 : 378.3°C at 760 mmHg
  • 熔点 : 155-161 ºC
  • 闪点 : 242.1℃
  • 颜色与性状 : Solid
  • 溶解性 : 未确定
  • 密度 : 1.3

计算特性

  • 精确分子量 : 184.01900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 184.019
  • 重原子数量 : 12
  • 复杂度 : 242
  • 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) : -0.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 59.6

对甲砜基苯甲醛(5398-77-6)海关数据

海关编码:
2913000090
海关数据:

中国海关编码:

2913000090

概述:

2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

对甲砜基苯甲醛(5398-77-6)生产方法和用途

用途:
用作医药中间体
甲砜霉素的中间体。

对甲砜基苯甲醛(5398-77-6)推荐厂家 更多厂家(95)

对甲砜基苯甲醛(5398-77-6)相关文献

对甲砜基苯甲醛(5398-77-6)参考资料

Beilstein:
M185093
PubChem CID:

对甲砜基苯甲醛(5398-77-6) MSDS

基础信息

Name:4-Methylsulphonyl Benzaldehyde 95+% Material Safety Data Sheet
Synonym:None Known
CAS:5398-77-6
Section 1 - Chemical Product ? MSDS Name:4-Methylsulphonyl Benzaldehyde 95+% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
5398-77-64-Methylsulphonyl Benzaldehyde95+%unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
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.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 5398-77-6: 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: Powder
Color: beige to slight yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 156.00 - 159.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H8O3S
Molecular Weight: 184.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 5398-77-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methylsulphonyl Benzaldehyde - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 5398-77-6: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5398-77-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5398-77-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A