59280-70-5 (4-氯-2-氟-N-乙酰基苯胺,4'-Chloro-2'-fluoroacetanilide)

4-氯-2-氟-N-乙酰基苯胺(59280-70-5)名称与标识符

名称

中文别名:
4-氯-2-氟-N-乙酰基苯胺;2-氟-4-氯-N-乙酰苯胺;4'-氯-2'-氟乙酰苯胺;4 -氯-2 -氟乙酰苯胺;4'-Chloro-2'-fluoroacetanilide 4'-氯-2'-氟乙酰苯胺;
英文别名:
2'-Fluoro-4'-chloroacetanilide;4'-Chloro-2'-fluoroacetanilide;N-(4-Chloro-2-fluorophenyl)acetamide;4-Chloro-2-fluoroacetanilide;2-Fluoro-4-chloroacetanilide;Acetamide, N-(4-chloro-2-fluorophenyl)-;4-chloro2-fluoroacetanilide;4'-chloro-2'-fluroacetanilide;4'-Chloro-2'-fluoroacetanilid;4'-chloro-2' -fluoroacetanilide;4'-chloro-2 '-fluoroacetanilide;4'--Chloro-2'-fluoroacetanilide;GVRKNSAEOVXHOS-UHFF;C1692;FT-0618015;4 inverted exclamation mark -Chloro-2 inverted exclamation mark -fluoroacetanilide;SCHEMBL3873599;SY048737;PS-8452;AMY8773;CS-0172012;A832239;InChI=1/C8H7ClFNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12;GVRKNSAEOVXHOS-UHFFFAOYSA-N;n-(4-chloro-2-fluorophenyl) acetamide;59280-70-5;N-(4-chloranyl-2-fluoranyl-phenyl)ethanamide;MFCD00042520;AKOS003799021;DTXSID40357409;4-(N-acetylamino)-1-chloro-3-fluorobenzene;

标识符

MDL:
MFCD00042520
InChIKey:
GVRKNSAEOVXHOS-UHFFFAOYSA-N
Inchi:
1S/C8H7ClFNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
SMILES:
ClC1C=CC(=C(C=1)F)NC(C)=O
BRN:
2092371

4-氯-2-氟-N-乙酰基苯胺(59280-70-5)物化性质

实验特性

  • LogP : 2.51050
  • PSA : 29.10000
  • 折射率 : 1.568
  • 沸点 : 312.8±32.0 °C at 760 mmHg
  • 熔点 : 155.0 to 159.0 deg-C
  • 闪点 : 143.0±25.1 °C
  • 颜色与性状 : 白色或浅棕色晶体状粉末
  • 密度 : 1.3020 (estimate)

计算特性

  • 精确分子量 : 187.02000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 187.02002
  • 重原子数量 : 12
  • 复杂度 : 176
  • 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) : 1.9
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 29.1

4-氯-2-氟-N-乙酰基苯胺(59280-70-5)海关数据

海关编码:
2924299090
海关数据:

中国海关编码:

2924299090

概述:

2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 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, 包装

Summary:

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-氯-2-氟-N-乙酰基苯胺(59280-70-5)生产方法和用途

用途:
用作精细化工中间体

4-氯-2-氟-N-乙酰基苯胺(59280-70-5)推荐厂家 更多厂家(25)

4-氯-2-氟-N-乙酰基苯胺(59280-70-5)上下游

4-氯-2-氟-N-乙酰基苯胺(59280-70-5)参考资料

Reaxys RN:
2092371
Beilstein:
C153632
PubChem CID:

4-氯-2-氟-N-乙酰基苯胺(59280-70-5) MSDS

基础信息

Name:4 -Chloro-2 -Fluoroacetanilide 99+%(TLC) Material Safety Data Sheet
Synonym:N-(4-Chloro-2-Fluorophenyl)Acetamid
CAS:59280-70-5
Section 1 - Chemical Product ? MSDS Name:4 -Chloro-2 -Fluoroacetanilide 99+%(TLC) Material Safety Data Sheet
Synonym:N-(4-Chloro-2-Fluorophenyl)Acetamid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
59280-70-54'-Chloro-2'-Fluoroacetanilide99%unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause cardiac disturbances. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
No information found.

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:

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. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray.

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. 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:
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# 59280-70-5: 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: slightly yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 156.00 - 158.00 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: insoluble
Specific Gravity/Density:
Molecular Formula: C8H7ClFNO
Molecular Weight: 187.60

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:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 59280-70-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4'-Chloro-2'-Fluoroacetanilide - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 59280-70-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 59280-70-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 59280-70-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A