三正硼酸戊酯 | 621-78-3

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 中文名称: 三正硼酸戊酯
• 中文别名: 三正戊基硼酸；硼酸三戊酯
• 英文名称: tri-n-amylborate
• 英文别名: Tripentylborat；Borsaeure-tripentylester；n-Pentyl-borat；Amylborat；Tripentyl borate
• CAS: 621-78-3
• 化学式: C₁₅H₃₃BO₃
• 分子量: 272.236
• InChiKey: JLPJTCGUKOBWRJ-UHFFFAOYSA-N

物化性质

• 熔点：
  180°C (dec.)
• 沸点：
  63°C 0mm
• 密度：
  0.8520
• 闪点：
  83°C

计算性质

• 辛醇/水分配系数(LogP)：
  6.49
• 重原子数：
  19
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• TSCA：
  No
• 危险等级：
  6.1(b)
• 危险类别码：
  R36/37/38
• 海关编码：
  2920909090
• 包装等级：
  III
• 危险类别：
  6.1(b)
• 危险品运输编号：
  UN 2810
• 储存条件：
  硼酸三戊酯可燃，请注意远离火源。该物质具有吸湿性，遇到水分会分解，因此应密封保存以防水分侵入。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : TRIPENTYL BORATE
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 621-78-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Eye irritation (Category 2), H319
Chronic aquatic toxicity (Category 4), H413
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R36
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H319 Causes serious eye irritation.
H413 May cause long lasting harmful effects to aquatic life.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C15H33BO3
Molecular Weight : 272,24 g/mol
CAS-No. : 621-78-3
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
TRIPENTYL BORATE
Eye Irrit. 2; Aquatic Chronic 4; -
H319, H413
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Borane/boron oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 5,873
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
Eyes - rabbit
Result: Moderate eye irritation
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: ED5650000
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Aquatic Chronic Chronic aquatic toxicity
Eye Irrit. Eye irritation
H319 Causes serious eye irritation.
H413 May cause long lasting harmful effects to aquatic life.
Full text of R-phrases referred to under sections 2 and 3
R36 Irritating to eyes.
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

制备方法与用途

生产方法主要杂质为水解产生的硼酸和醇。采用减压蒸馏法进行精制，收集温度在146～148℃的馏分。

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	bis(n-pentyloxy)chloroborane	99864-44-5	C10H22BClO2	220.547

反应信息

• 作为反应物：
  描述：

  三正硼酸戊酯 在 三氯化硼 作用下， 生成 (n-pentyloxy)dichloroborane
  参考文献：
  名称：

  Abel et al., Journal of the Chemical Society, 1957, p. 501,502

  摘要：

  DOI：
• 作为产物：
  描述：

  戊醇 在 硼酸 作用下， 以 甲苯 为溶剂， 生成 三正硼酸戊酯
  参考文献：
  名称：

  脂肪族硫醚通过三烷基硼酸盐对硫醇进行烷基化

  摘要：

  描述了一种通过硼酯合成硫醚的简单方便的一锅法。该过程包括通过硼酸三烷基酯与浓硫酸的反应以及随后在吡啶存在下与硫醇的反应原位生成烷基硫酸盐。与伯醇或仲醇硼酯的反应在 100°C 下进行，并在 24 小时内以合理的产率 (59-93%) 提供脂肪族硫醚。有趣的是，产物的 1H NMR 谱没有显示位置异构的迹象。然而，由于苯环上的亲电取代，该方法对苯硫酚失败并且不会产生芳族硫醚。

  DOI：

  10.1080/10426500903213563

文献信息

• Synthesis of Meso-Substituted Subphthalocyanine-Subporphyrin Hybrids: Boron Subtribenzodiazaporphyrins
  作者：Sonia Remiro-Buenamañana、Alejandro Díaz-Moscoso、David L. Hughes、Manfred Bochmann、Graham J. Tizzard、Simon J. Coles、Andrew N. Cammidge

  DOI：10.1002/anie.201502662

  日期：2015.6.22

  The first syntheses of hybrid structures that lie between subphthalocyanines and subporphyrins are reported. The versatile single‐step synthetic method uses a preformed aminoisoindolene to provide the bridging methine unit and its substituent while trialkoxyborates simultaneously act as Lewis acid, template, and provider of the apical substituent. The selection of each component therefore allows for

  报道了位于亚酞菁和亚卟啉之间的杂化结构的第一合成。通用的一步合成方法是使用预制的氨基异吲哚烯提供桥连的次甲基单元及其取代基，而三烷氧基硼酸酯同时充当路易斯酸，模板和顶端取代基的提供者。因此，每个组件的选择都可以控制形成各种不同功能的系统。新的混合动力车被隔离为坚固，纯净的材料，在中可见光区域表现出强烈的吸收和发射。通过变温NMR光谱和X射线晶体学分别对新化合物在溶液和固态中进行了表征。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.9, 3.2.6, page 67 - 74
  作者：

  DOI：——

  日期：——
• New Aliphatic Borates¹
  作者：Allen Scattergood、Warren H. Miller、Julian Gammon

  DOI：10.1021/ja01228a024

  日期：1945.12
• Cambi, L., Atti della Reale Accademia dei Lincei. Serie 5: Rendiconti Classe di scienze fisiche, matematiche e naturali., 1964, vol. 23 I, p. 244 - 252
  作者：Cambi, L.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.8, 8.2, page 109 - 115
  作者：

  DOI：——

  日期：——