61072-56-8 (4-氯-2-氟苯甲醛,4-Chloro-2-fluorobenzaldehyde)

CAS号:
61072-56-8
中文名称:
4-氯-2-氟苯甲醛
英文名称:
4-Chloro-2-fluorobenzaldehyde
安全信息:
分子式:
C7H4ClFO
分子量:
158.557464599609

4-氯-2-氟苯甲醛(61072-56-8)名称与标识符

名称

中文别名:
4-氯-2-氟苯甲醛;2-氟-4-氯苯甲醛;4-Chloro-2-fluorobenzaldehyde 4-氯-2-氟苯甲醛;4-氯-2-氟苯甲基酯;4-氯-2-氟苯甲醛,4-Chloro-2-fluorobenzaldehyde;2-氟-4-氯-苯甲醛;
英文别名:
4-Chloro-2-fluorobenzaldehyde;2-FLUORO-4-CHLOROBENZALDEHYDE;C7H4ClFO;4-chloranyl-2-fluoranyl-benzaldehyde;4-chloro-2-fluorobenzaIdehyde;4-chloro-2-fluoro-benzaldehyde;4-chloro-2-fluoro-bezaldehyde;4-Cl,2-F-PhCHO;FT-0601455;Benzaldehyde, 4-chloro-2-fluoro-;MFCD00143282;61072-56-8;4-chloro-2-fluoro-benzoaldehyde;UVGYSEIWAOOIJR-UHFFFAOYSA-;DTXSID40369284;4-Chloro-2-fluorobenzaldehyde, AldrichCPR;C1597;A833033;CS-W007528;PS-8797;UVGYSEIWAOOIJR-UHFFFAOYSA-N;AC-3827;SY014851;AM20040849;EN300-126763;SCHEMBL155661;J-514937;A806213;AKOS005063852;InChI=1/C7H4ClFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H;Z1079442614;BBL028278;DB-006750;STL370331;DTXCID90320320;

标识符

MDL:
MFCD00143282
InChIKey:
UVGYSEIWAOOIJR-UHFFFAOYSA-N
Inchi:
1S/C7H4ClFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
SMILES:
ClC1C=CC(C=O)=C(C=1)F
BRN:
3537705

4-氯-2-氟苯甲醛(61072-56-8)物化性质

实验特性

  • LogP : 2.29160
  • PSA : 17.07000
  • 折射率 : 1.559
  • 水溶性 : 不溶
  • 沸点 : 209.8℃ at 760 mmHg
  • 熔点 : 58.0 to 61.0 deg-C
  • 闪点 : 80.7℃
  • 颜色与性状 : 固体
  • 敏感性 : Air Sensitive
  • 密度 : 1.3310 (estimate)

计算特性

  • 精确分子量 : 157.99300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 157.993
  • 重原子数量 : 10
  • 复杂度 : 129
  • 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) : 2.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 17.1A^2

4-氯-2-氟苯甲醛(61072-56-8)国际标准相关数据

EINECS:
000-000-0

4-氯-2-氟苯甲醛(61072-56-8)海关数据

海关编码:
2913000090
海关数据:

中国海关编码:

2913000090

概述:

2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 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

Summary:

HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

4-氯-2-氟苯甲醛(61072-56-8)生产方法和用途

用途:
用作制造农药、医药及染料的中间体

4-氯-2-氟苯甲醛(61072-56-8)推荐厂家 更多厂家(57)

4-氯-2-氟苯甲醛(61072-56-8)合成路线

合成路线:1 步
反应条件:
参考文献:
"Halex" [potassium fluoride] fluorination of chlorinated benzaldehydes and benzoyl chlorides
Banks, R. Eric; Mothersdale, Kevin N.; Tipping, Anthony E.; Tsiliopoulos, Efthimios; Cozens, Barry J.; et al, Journal of Fluorine Chemistry, 1990, 46(3), 529-37

4-氯-2-氟苯甲醛(61072-56-8)参考资料

Reaxys RN:
3537705
Beilstein:
9(4)951
PubChem CID:

4-氯-2-氟苯甲醛(61072-56-8) MSDS

基础信息

Name:4-Chloro-2-Fluorobenzaldehyde Material Safety Data Sheet
Synonym:None Known
CAS:61072-56-8
Section 1 - Chemical Product ? MSDS Name:4-Chloro-2-Fluorobenzaldehyde Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
61072-56-84-Chloro-2-Fluorobenzaldehydeca. 100unlisted
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. Wash mouth out with 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.
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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
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# 61072-56-8: 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: Liquid
Color: Not available.
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: C7H4ClFO
Molecular Weight: 158.56

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 61072-56-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloro-2-Fluorobenzaldehyde - 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# 61072-56-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61072-56-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61072-56-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A