己酸2,4,6-三溴苯酯

• 常用名: 己酸2,4,6-三溴苯酯
• 英文名: 2,4,6-Tribromophenyl caproate
• CAS号: 16732-09-5
• 分子量: 428.94200
• 密度: 1.77
• 沸点: 400.1ºC at 760 mmHg
• 分子式: C₁₂H₁₃Br₃O₂
• 熔点: N/A
• 闪点: 195.8ºC

己酸2,4,6-三溴苯酯用途

2,4,6-Tribromophenyl caproate (2,4,6-tribromophenyl caproic acid ester) 是一种抗真菌剂。

己酸2,4,6-三溴苯酯名称

• 中文名: 2,4,6-三溴苯甲酸己酯
• 英文名: (2,4,6-tribromophenyl) hexanoate
• 中文别名: 正己酸-2,4,6-三溴苯酯 | 己酸2,4,6-三溴苯酯

己酸2,4,6-三溴苯酯生物活性

• 描述: 2,4,6-Tribromophenyl caproate (2,4,6-tribromophenyl caproic acid ester) 是一种抗真菌剂。
• 相关类别:
  信号通路 >> 抗感染 >> 真菌
  研究领域 >> 感染
• 靶点:

  anti-fungal[1]

• 体内研究: 2,4,6-三溴苯基己酸酯(2,4,6-三溴苯基己酸酯)含有选自Sharon皮肤或其盐的至少一种根据第一项至第五项[1]中任一项的透皮吸收贴剂。 。
• 参考文献:

  [1]. Shusuke Ono, et al. Transdermal patch preparation. JP2002363070A.

己酸2,4,6-三溴苯酯物理化学性质

• 密度: 1.77
• 沸点: 400.1ºC at 760 mmHg
• 分子式: C₁₂H₁₃Br₃O₂
• 分子量: 428.94200
• 闪点: 195.8ºC
• 精确质量: 425.84700
• PSA: 26.30000
• LogP: 5.45980
• 外观性状: 无色-微浅黄色透明液体
• 蒸汽压: 1.31E-06mmHg at 25°C
• 折射率: 1.569
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：79.19

  2、 摩尔体积（m³/mol）：241.6

  3、 等张比容（90.2K）：619.4

  4、 表面张力（dyne/cm）：43.1

  5、 极化率（10^-24cm³）：31.39

• 计算化学:

  1.疏水参数计算参考值（XlogP）:5.7

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积26.3

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:236

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1.性状：未确定

  2. 密度（g/mL,25/4 ℃ ）： 1.77 3. 相对蒸汽密度（g/mL,空气=1） ： 未确定

  4.熔点（ºC）：未确定

  5.沸点（ºC,常压）：未确定

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率：未确定

  8.闪点（ºC）：未确定

  9.比旋光度（º）：未确定

  10.自燃点或引燃温度（ºC）：未确定

  11.蒸气压（kPa,25ºC）：未确定

  12.饱和蒸气压（kPa,60ºC）：未确定

  13.燃烧热（KJ/mol）：未确定

  14.临界温度（ºC）：未确定

  15.临界压力（KPa）：未确定

  16.油水（辛醇/水）分配系数的对数值：未确定

  17.爆炸上限（%,V/V）：未确定

  18.爆炸下限（%,V/V）：未确定

  19.溶解性：未确定

己酸2,4,6-三溴苯酯MSDS

TCI (Shanghai) DEVELOPMENT CO., LTD.
2,4,6-Tribromophenyl Hexanoate Revision number: 1.1 Revision date: 04/21/2011
Revision date: 04/21/2011
SAFETY DATA SHEET

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模块1. IDENTIFICATION OF THE SUBSTANCE OR MIXTURE AND OF THE SUPPLIER
Product name:2,4,6-Tribromophenyl Hexanoate

Product code:H0113
Company:TCI (Shanghai) DEVELOPMENT CO., LTD.
Address:No.96 Pu Gong Road, Shanghai Chemical Industry Park, Shanghai 201507 China
Responsible Department: Sales Department
Telephone:+86-(0)
Fax:+86-(0)
Revision number:1.1

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模块2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDSNot classified
HEALTH HAZARDS
Skin corrosion/irritationCategory 2
Serious eye damage/eye irritationCategory 2A
ENVIRONMENTAL HAZARDSNot classified
GHS label elements
Pictograms or hazard symbols
Signal wordWarning
Causes skin irritation
Hazard statement
Causes serious eye irritation
Precautionary statements
[Prevention]Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response]IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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模块3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Component(s):2,4,6-Tribromophenyl Hexanoate
Percent:>97.0%(GC)
CAS Number:16732-09-5
Synonyms:Hexanoic Acid 2,4,6-Tribromophenyl Ester
Chemical Formula:C12H13Br3O2

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模块4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
2,4,6-Tribromophenyl Hexanoate TCI (Shanghai) DEVELOPMENT CO., LTD. Revision number: 1.1 Revision date: 04/21/2011 Page 2 of 4

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模块4. FIRST AID MEASURES
Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Get medical advice/attention if you feel unwell. Rinse mouth.
Ingestion:
Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and
air-tight goggles.

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模块5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, water spray, carbon dioxide.
media:
Extinguishing media not to Solid streams of water
be used:
Specific hazards:Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
spraying with water. Eliminate all ignition sources if safe to do so.
Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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模块6. ACCIDENTAL RELEASE MEASURES
Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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模块7. HANDLING AND STORAGE
Handling
Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapor or mist. Wash hands and face thoroughly after handling.
Use a ventilation, local exhaust if vapor or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Storage
Storage conditions:Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material:Law is followed.

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模块8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection:Protective gloves.
Eye protection:Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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模块9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Liquid
Form:clear
Color:Colorless - Slightly pale yellow
No data available
Odor:
pH: No data available
2,4,6-Tribromophenyl Hexanoate TCI (Shanghai) DEVELOPMENT CO., LTD. Revision number: 1.1 Revision date: 04/21/2011 Page 3 of 4

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模块9. PHYSICAL AND CHEMICAL PROPERTIES
Melting point/freezing point: No data available
Boiling Point/Range:No data available
Flash Point:No data available
Explosive limits
Lower:No data available
Upper:No data available
1.77
Density:
Solubility:No data available

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模块10. STABILITY AND REACTIVITY
Stability:Stable under proper conditions.
Reactivity:No special reactivity has been reported.
Incompatible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen bromide
Products:

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模块11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC =No data available
No data available
NTP =
Reproductive toxicity:No data available

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模块12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
Crustacea:No data available
Algae:No data available
Persistence / degradability: No data available
BioaccumulativeNo data available
potential(BCF):
Mobillity in soil
log Pow:No data available
Soil adsorption (Koc): No data available
Henry's LawNo data available
constant(PaM3/mol):

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模块13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.

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模块14. TRANSPORT INFORMATION
Hazards Class:Does not correspond to the classification standard of the United Nations
UN-No:Not Listed

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模块15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.

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模块16. OTHER INFORMATION
The reference company name of written contents
2,4,6-Tribromophenyl Hexanoate TCI (Shanghai) DEVELOPMENT CO., LTD. Revision number: 1.1 Revision date: 04/21/2011 Page 4 of 4

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模块16. OTHER INFORMATION
Company:TCI (Shanghai) DEVELOPMENT CO., LTD.
Address:No.96 Pu Gong Road, Shanghai Chemical Industry Park, Shanghai 201507 China
Department:R&D (Information Management) Department
+86-(0)*461
Telephone:
Fax:+86-(0)
This MSDS was prepared sincerely on the basis of the information we could obtained, however, any warranty shall not be given regarding the data
contained and the assessment of hazards and toxicity. Prior to use, please investigate not only the hazards and toxicity information but also the laws
and regulations of the organization, area and country where the products are to be used, which shall be given the first priority.products are supposed to
be used promptly after purchase in consideration of safety. Some new information or amendments may be added afterwards. If the products are to
be used far behind the expected time of use or you have any questions, please feel free to contact us. The stated cautions are for normal handling
only. In case of special handling, sufficient care should be taken, in addition to the safety measures suitable for the situation. All chemical products
should be treated with the recognition of "having unknown hazards and toxicity", which differ greatly depending on the conditions and handling when in
use and/or the conditions and duration of storage. The products must be handled only by those who are familiar with specialized knowledge and have
experience or under the guidance of those specialists throughout use from opening to storage and disposal. Safe usage conditions shall be set up on
each user's own responsibility.

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模块 15 - 法规信息
N/A

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模块16 - 其他信息
N/A

己酸2,4,6-三溴苯酯安全信息

• 危害码 (欧洲): Xn
• 海关编码: 2915900090

己酸2,4,6-三溴苯酯海关

• 海关编码: 2915900090
• 中文概述: 2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
• 监管条件: A.入境货物通关单 B.出境货物通关单
• 检验检疫: R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
• Summary: 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

己酸2,4,6-三溴苯酯英文别名

• Hexanoic Acid 2,4,6-Tribromophenyl Ester
• WKADNUIXFNFRSW-UHFFFAOYSA
• 2,4,6-Tribromphenol-caproat
• 2,4,6-TribroMophenyl Hexanoate
• 2,4,6-Tribromophenyl caproate