395-35-7 (4-三氟甲基扁桃酸,2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid)

CAS号:
395-35-7
中文名称:
4-三氟甲基扁桃酸
英文名称:
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid
分子式:
C9H7F3O3
分子量:
220.145293474197

4-三氟甲基扁桃酸(395-35-7)名称与标识符

名称

中文别名:
4-三氟甲基扁桃酸;4-(三氟甲基)扁桃酸;对三氟甲基扁桃酸;
英文别名:
2-Hydroxy-2-(4-(trifluoromethyl)phenyl)acetic acid;4-(TRIFLUOROMETHYL)MANDELIC ACID;2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid;2-(4-(Trifluoromethyl)phenyl)-2-hydroxyacetic acid;FS-1141;p-Trifluoromethylmandelic acid;395-35-7;2-Hydroxy-2-(4-(trifluoromethyl)phenyl)aceticacid;NS00043190;DS-2858;MFCD00009724;FT-0616932;Hydroxy[4-(trifluoromethyl)phenyl]acetic acid #;DTXSID40960134;A824606;EINECS 206-900-1;4-(Trifluoromethyl)mandelic acid, 98%;EN300-332422;Benzeneacetic acid, .alpha.-hydroxy-4-(trifluoromethyl)-;Hydroxy[4-(trifluoromethyl)phenyl]acetic acid;SY061815;AKOS005258103;4-(Trifluoromethyl)phenylglycolic acid;Z788000708;4-Trifluoromethylmandelic acid;SCHEMBL504284;AMY2979;DB-049432;

标识符

MDL:
MFCD00009724
InChIKey:
SDGXYUQKJPFLDG-UHFFFAOYSA-N
Inchi:
1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)
SMILES:
FC(C1C=CC(=CC=1)C(C(=O)O)O)(F)F
BRN:
2979949

4-三氟甲基扁桃酸(395-35-7)物化性质

实验特性

  • LogP : 1.82340
  • PSA : 57.53000
  • 折射率 : 1.502
  • 沸点 : 324.2 °C at 760 mmHg
  • 熔点 : 130-134 °C
  • 闪点 : 149.8 °C
  • 颜色与性状 : 不可用
  • 溶解性 : 不可用
  • 密度 : 1.3670 (estimate)

计算特性

  • 精确分子量 : 220.03500
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 220.035
  • 重原子数量 : 15
  • 复杂度 : 231
  • 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 : 1
  • 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) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 57.5A^2

4-三氟甲基扁桃酸(395-35-7)安全信息

4-三氟甲基扁桃酸(395-35-7)国际标准相关数据

EINECS:
206-900-1

4-三氟甲基扁桃酸(395-35-7)海关数据

海关编码:
2918199090
海关数据:

中国海关编码:

2918199090

概述:

HS: 2918199090. 其他含醇基但不含其他含氧基羧酸(包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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4-三氟甲基扁桃酸(395-35-7)相关文献

4-三氟甲基扁桃酸(395-35-7) MSDS

基础信息

Name:4-(Trifluoromethyl)Mandelic Acid 98% Material Safety Data Sheet
Synonym:None
CAS:395-35-7
Section 1 - Chemical Product ? MSDS Name:4-(Trifluoromethyl)Mandelic Acid 98% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
395-35-74-(Trifluoromethyl)Mandelic Acid98%206-900-1
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
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. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. 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:
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. 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.
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. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Keep from contact with oxidizing materials. 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# 395-35-7: 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:
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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 143 - 145 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: CF3C6H4CH(OH)CO2H
Molecular Weight: 220.15

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, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 395-35-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Trifluoromethyl)Mandelic 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
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 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
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# 395-35-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 395-35-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 395-35-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A