3406-03-9 (2-(苯基磺酰)苯乙酮,2-(Phenylsulfonyl)acetophenone)

CAS号:
3406-03-9
中文名称:
2-(苯基磺酰)苯乙酮
英文名称:
2-(Phenylsulfonyl)acetophenone
安全信息:
分子式:
C14H12O3S
分子量:
260.308282852173

2-(苯基磺酰)苯乙酮(3406-03-9)名称与标识符

名称

中文别名:
2-(苯基磺酰)苯乙酮;2-苯磺酰基苯乙酮;2-Phenylsulfonylacetophenone 2-苯磺酰基苯乙酮;
英文别名:
1-phenyl-2-(phenylsulphonyl)ethan-1-one;2-(PHENYLSULFONYL)ACETOPHENONE;2-PHENYLSULFONYLACETOPHENONE (ALPHA-);2-Phenylsulfonylacetophenone;1-phenyl-2-(phenylsulfonyl)ethan-1-one;1-Phenyl-2-(phenylsulfonyl)ethanone;2-Benzenesulfonylacetophenone;Acetophenone,2-(phenylsulfonyl);Ethanone,1-phenyl-2-(phenylsulfonyl);Acetophenone, 2-(phenylsulfonyl)-;Phenacyl phenyl sulfone;Ethanone, 1-phenyl-2-(phenylsulfonyl)-;DREVPGKOIZVPQV-UHFFFAOYSA-N;NSC633013;benzoylmethyl phenyl sulfone;Bis(phenylsulfonyl)methane, 99%;NSC2698;alpha-PHENYLSULFONYLACETOPHENONE;phenacylphenyl sulfone;Phenyl phenacyl sulfone;phenylsulfonylacetophenone;Phen;.omega.-(Phenylsulfonyl)acetophenone;MFCD00025043;2-(benzenesulfonyl)-1-phenylethanone;NSC-2698;Ethanone, 1-phenyl-2-(phenylsulphonyl)-;D92020;NSC63073;J-800240;3406-03-9;FT-0634840;Benzoyl(phenylsulfonyl)methane;1-Phenyl-2-(phenylsulphonyl)ethanone;F6UD8QA2EG;Acetophenone, 2-(phenylsulphonyl)-;CS-0204279;Phenylacyl phenyl sulfone;CHEMBL379738;P0828;NSC 63073;NSC 2698;EN300-213890;2-Benzenesulfonyl-1-phenyl-ethanone;J-640241;.alpha.-(Phenylsulfonyl)acetophenone;NSC-63073;2-(Phenylsulphonyl)acetophenone;AKOS002337153;1-Phenyl-2-(phenylsulfonyl)ethanone #;NS00015534;DTXSID20187660;EINECS 222-292-0;2-(benzenesulfonyl)-1-phenylethan-1-one;F0001-0997;Z57600638;SCHEMBL452973;benzoyl phenylsulfonyl methane;NCIOpen2_002746;2-(benzenesulfonyl)-1-phenyl-ethanone;NSC-633013;A851238;STK264117;DB-048560;

标识符

MDL:
MFCD00025043
InChIKey:
DREVPGKOIZVPQV-UHFFFAOYSA-N
Inchi:
1S/C14H12O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10H,11H2
SMILES:
S(C1C=CC=CC=1)(CC(C1C=CC=CC=1)=O)(=O)=O
BRN:
1879574

2-(苯基磺酰)苯乙酮(3406-03-9)物化性质

实验特性

  • LogP : 3.42400
  • PSA : 59.59000
  • 折射率 : 1.5050 (estimate)
  • 沸点 : 373.57°C (rough estimate)
  • 熔点 : 91.0 to 95.0 deg-C
  • 闪点 : 305°C
  • 颜色与性状 : 浅黄色晶体状粉末
  • 溶解性 : 未确定
  • 密度 : 1.2959 (rough estimate)

计算特性

  • 精确分子量 : 260.05100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 260.051
  • 重原子数量 : 18
  • 复杂度 : 368
  • 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) : 2.6
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 59.6

2-(苯基磺酰)苯乙酮(3406-03-9)国际标准相关数据

EINECS:
222-292-0

2-(苯基磺酰)苯乙酮(3406-03-9)海关数据

海关编码:
2914700090
海关数据:

中国海关编码:

2914700090

概述:

2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 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, 丙酮报明包装

Summary:

HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

2-(苯基磺酰)苯乙酮(3406-03-9)上下游

2-(苯基磺酰)苯乙酮(3406-03-9)相关文献

2-(苯基磺酰)苯乙酮(3406-03-9)参考资料

Reaxys RN:
1879574
Beilstein:
8(4)412
PubChem CID:

2-(苯基磺酰)苯乙酮(3406-03-9) MSDS

基础信息

Name:2-(Phenylsulfonyl)Acetophenone 99% Material Safety Data Sheet
Synonym:
CAS:3406-03-9
Section 1 - Chemical Product ? MSDS Name:2-(Phenylsulfonyl)Acetophenone 99% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
3406-03-92-(Phenylsulfonyl)Acetophenone99%222-292-0
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.
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 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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. 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:
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. Use with adequate ventilation. Wash clothing before reuse.
Storage:
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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3406-03-9: 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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 93-95 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H12O3S
Molecular Weight: 260.1422

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.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 3406-03-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(Phenylsulfonyl)Acetophenone - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 3406-03-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3406-03-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3406-03-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A