274682-91-6 (盐酸***,(2,4-Difluorophenyl)acetone)

结构式:
CAS号:
274682-91-6
中文名称:
盐酸***
英文名称:
(2,4-Difluorophenyl)acetone
分子式:
C9H8F2O
分子量:
170.156029701233

盐酸***(274682-91-6)名称与标识符

名称

中文别名:
2,4-二氟苯基丙酮;2,4-二氟苯乙酮;盐酸***;1-(2,4-二氟苯基)丙-2-酮;
英文别名:
2-Propanone,1-(2,4-difluorophenyl)-;1-(2,4-difluorophenyl)propan-2-one;2,4- DIFLUOROPHENYLACETONE;NULL;(2,4-difluorophenyl)propanone;1-(2,4-Difluoro-phenyl)-propane-2-one;2,4,6-TRIMETHOXYTOLUENE;2,4-DIFLUOROPHENYLACETONE;2-Propanone, 1-(2,4-difluorophenyl)-;XVHHDTNIOCSTLH-UHFFFAOYSA-N;1-(2,4-difluorophenyl)-2-propanone;2,4-difluorophenylacetone, AldrichCPR;AK309422;N12745;AS-58427;Z963397502;274682-91-6;SCHEMBL1699443;EN300-1240328;AKOS011476894;DTXSID80370551;DB-226831;(2,4-Difluorophenyl)acetone;

标识符

MDL:
MFCD02258866
InChIKey:
XVHHDTNIOCSTLH-UHFFFAOYSA-N
Inchi:
1S/C9H8F2O/c1-6(12)4-7-2-3-8(10)5-9(7)11/h2-3,5H,4H2,1H3
SMILES:
FC1C=C(C=CC=1CC(C)=O)F

盐酸***(274682-91-6)物化性质

实验特性

  • LogP : 2.09630
  • PSA : 17.07000
  • 折射率 : 1.477-1.479
  • 颜色与性状 : 黄色液体
  • 溶解性 : 无可用

计算特性

  • 精确分子量 : 170.05400
  • 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 : 170.054
  • 重原子数量 : 12
  • 复杂度 : 170
  • 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) : 1.7
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 17.1

盐酸***(274682-91-6)安全信息

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盐酸***(274682-91-6) MSDS

基础信息

Name:2 4-Difluorophenylacetone 98% Material Safety Data Sheet
Synonym:
CAS:274682-91-6
Section 1 - Chemical Product ? MSDS Name:2 4-Difluorophenylacetone 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
274682-91-62,4-Difluorophenylacetone98%unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 274682-91-6: Personal Protective Equipment Eyes: Not available.
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: Clear liquid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C9H8F2O
Molecular Weight: 170.16

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 274682-91-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4-Difluorophenylacetone - 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# 274682-91-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 274682-91-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 274682-91-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A