对甲砜基苯甲醛 | 5398-77-6

• 物质功能分类: 有机原料 - 醛类化合物
• 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: 对甲砜基苯甲醛
• 中文别名: 4-甲基磺酰基苯甲醛；对甲磺酰基苯甲醛
• 英文名称: para-methanesulfonylbenzaldehyde
• 英文别名: 4-Methylsulfonylbenzaldehyde；p-methylsulfonylbenzaldehyde；4-methanesulfonylbenzaldehyde；4-(Methylsulfonyl)benzaldehyde
• CAS: 5398-77-6
• 化学式: C₈H₈O₃S
• mdl: MFCD00216485
• 分子量: 184.216
• InChiKey: PSVPUHBSBYJSMQ-UHFFFAOYSA-N

物化性质

• 熔点：
  155-161 °C
• 沸点：
  288.16°C (rough estimate)
• 密度：
  1.3761 (rough estimate)
• 溶解度：
  可溶于氯仿、甲醇
• 稳定性/保质期：

  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36
• 海关编码：
  2913000090
• WGK Germany：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  密封储存，宜存放在阴凉、干燥的库房中。

SDS

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

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5398-77-6	4-Methylsulphonyl Benzaldehyde	95+%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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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.

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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. 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:

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

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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. 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.

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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 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.

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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

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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

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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.

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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: 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:

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

概述

对甲砜基苯甲醛是合成甲砜霉素的重要原料。甲砜霉素属于第二代广谱抗菌药物，与氯霉素具有相似的抗菌作用和机制。它能抑制需氧革兰氏阴性菌及阳性菌、厌氧菌、链球菌属和双球菌属等，并对革兰氏阴性菌有更强的抑制效果。然而，甲砜霉素在血液中很少与蛋白质结合，在尿液和胆汁中的浓度高于氯霉素，且为长效药物，因此其体内抗菌作用比氯霉素更强大。此外，一些对氯霉素耐药的细菌对甲砜霉素更加敏感。

研究还证明，甲砜霉素能增强机体免疫能力。虽然氯霉素在临床上被广泛应用，但它对人和动物的骨髓细胞及肝细胞具有毒性作用，可能会导致剂量相关的骨髓抑制或不可逆的再生障碍性贫血、严重胃肠道反应、二重感染、周围神经炎以及“灰婴综合症”等。另外，它还可能引起肉鸡和小白鼠的免疫抑制反应和遗传毒性，并被认为是一种致畸剂。

副作用

多年临床应用表明，甲砜霉素也具有多种毒副作用，主要分为非血液系统毒性和血液系统毒性两大类。前者包括胃肠道反应（如腹痛、恶心、呕吐）、口腔黏膜发甜、厌食、头痛以及多神经炎；后者则表现为较高的血清铁增加率和白细胞、红细胞数量轻度下降，严重时可导致骨髓抑制。此外，该药物还可能引发周围神经炎。

近年来抗生素的滥用导致了严重的耐药性问题，因此研究开发低毒、高效的新型抗菌药物具有重要的现实意义。

化学性质

对甲砜基苯甲醛为结晶体（乙醇水溶液），熔点为158-159℃。

用途

甲砜基苯甲醛用作合成甲砜霉素的中间体，同时也用作医药中间体。