33963-55-2 (2-(甲基磺酰)苯甲酸,2-methanesulfonylbenzoic acid)

CAS号:
33963-55-2
中文名称:
2-(甲基磺酰)苯甲酸
英文名称:
2-methanesulfonylbenzoic acid
分子式:
C8H8O4S
分子量:
200.211721420288
相关分类:

2-(甲基磺酰)苯甲酸(33963-55-2)名称与标识符

名称

中文别名:
2-(甲基磺酰)苯甲酸;2-甲砜基苯甲酸;2-(甲基磺酰基)苯甲酸;2-甲基磺酰苯甲酸;
英文别名:
2-(Methylsulfonyl)benzoic acid;2-(Methylsulfonyl)benzenecarboxylic acid;2-(Methylsulphonyl)benzoic acid;2-methylsulfonylbenzoic acid;2-methanesulfonyl-benzoic acid;2-Methylsulphonylbenzoic acid;methylsulfonylbenzoic acid;o-methylsulphonylbenzoic acid;2-methanesulfonylbenzoic acid;2-methanesulfonyl benzoic acid;Benzoic acid, 2-(methylsulfonyl)-;2-Mesylbenzoic acid;NSC140153;PubChem18527;Maybridge3_003169;Oprea1_233472;2-methylsulfonyl-benzoic acid;2-(Methylsulfonyl)benzoicAcid;2-(Methanesul;AM808239;NSC-140153;SCHEMBL34748;2-(Methanesulfonyl)benzoic acid;FT-0676480;Z57044274;HMS1440A01;DTXSID20300953;AKOS000202040;5L-603S;A6009;33963-55-2;AC-2866;BZSXEZOLBIJVQK-UHFFFAOYSA-N;SY003199;EN300-10940;CCG-50045;SODIUMCHLORATE;MFCD00216492;AA-516/30011012;F2167-2593;IDI1_014556;SR-01000639454-1;CS-W002528;

标识符

MDL:
MFCD00216492
InChIKey:
BZSXEZOLBIJVQK-UHFFFAOYSA-N
Inchi:
1S/C8H8O4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
SMILES:
S(C)(C1C=CC=CC=1C(=O)O)(=O)=O

2-(甲基磺酰)苯甲酸(33963-55-2)物化性质

实验特性

  • LogP : 1.86910
  • PSA : 79.82000
  • 折射率 : 1.5500 (estimate)
  • 沸点 : 437.8℃ at 760 mmHg
  • 熔点 : 136-141°C
  • 闪点 : 218.6℃
  • 颜色与性状 : White to Yellow Solid
  • 溶解性 : 微溶于水
  • 密度 : 1.4787 (rough estimate)

计算特性

  • 精确分子量 : 200.01400
  • 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 : 200.014
  • 重原子数量 : 13
  • 复杂度 : 288
  • 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) : 0.7
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 79.8

2-(甲基磺酰)苯甲酸(33963-55-2)国际标准相关数据

EINECS:
223-765-5

2-(甲基磺酰)苯甲酸(33963-55-2)海关数据

海关编码:
2916399090
海关数据:

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 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:30.0%

申报要素:

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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2-(甲基磺酰)苯甲酸(33963-55-2) MSDS

基础信息

Name:2-Methylsulphonylbenzoic Acid 95+% Material Safety Data Sheet
Synonym:None Known
CAS:33963-55-2
Section 1 - Chemical Product ? MSDS Name:2-Methylsulphonylbenzoic Acid 95+% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
33963-55-22-Methylsulphonylbenzoic Acid95+unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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 immediately.
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. Do NOT use mouth-to-mouth resuscitation.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation.
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# 33963-55-2: 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 minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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: 137.00 - 140.00 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: slightly soluble
Specific Gravity/Density:
Molecular Formula: C8H8O4S
Molecular Weight: 200.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
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# 33963-55-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methylsulphonylbenzoic Acid - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 33963-55-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33963-55-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33963-55-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A