苄基二甲基(2-羟乙基)氯化铵 | 7221-40-1

• 物质功能分类: 化学试剂 - 有机试剂 - 胺盐（铵盐）
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苄基二甲基(2-羟乙基)氯化铵
• 中文别名: 苄基(2-羟乙基)二甲基氯化铵
• 英文名称: benzyldimethyl-2-hydroxyethyl-ammonium chloride
• 英文别名: Benzyl(2-hydroxyethyl)dimethylammonium chloride；benzyl-(2-hydroxyethyl)-dimethylazanium;chloride
• CAS: 7221-40-1
• 化学式: C₁₁H₁₈NO*Cl
• 分子量: 215.723
• InChiKey: NUPDFKWZQURWCC-UHFFFAOYSA-M

物化性质

• 熔点：
  75-78 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -1.74
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338
• 储存条件：
  存放于室温且置于惰性气体中

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Benzyldimethyl(2-hydroxyethyl)ammonium chloride
CAS-No. : 7221-40-1
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 [EU-GHS/CLP]
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
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
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36 Wear suitable protective clothing.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C11H18ClNO
Molecular Weight : 215,72 g/mol
Component Concentration
Benzyl(2-hydroxyethyl)dimethylammonium chloride
CAS-No. 7221-40-1 -
EC-No. 230-619-3

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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
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, nitrogen oxides (NOx), Hydrogen chloride gas
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 vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
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.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
hygroscopic
Specific end uses
no data available

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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).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 75 - 78 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation 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- no data available
octanol/water
p) Autoignition 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
no data available
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

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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
no data available
Respiratory or skin sensitization
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
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Additional Information
RTECS: Not available

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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
no data available
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. Contact a licensed
professional waste disposal service to dispose of this material. 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
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 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.

反应信息

• 作为反应物：
  描述：

  苄基二甲基(2-羟乙基)氯化铵 生成 乙炔
  参考文献：
  名称：

  TOROSYAN G. O.; NAZARETYAN A. X.; PASHAYAN A. A.; BABAYAN A. T., ARM. XIM. ZH., 40,(1987) N 4, 227-231

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N-二甲基乙醇胺 、 氯化苄 以 丙酮 为溶剂， 反应 5.0h， 生成 苄基二甲基(2-羟乙基)氯化铵
  参考文献：
  名称：

  N-苄基-2-羟基-N，N-二甲基乙烷-1-氯化铵及其制备方法

  摘要：

  本发明提供N‑苄基‑2‑羟基‑N，N‑二甲基乙烷‑1‑氯化铵及其制备方法，所述方法包括步骤1，在温度为40‑60℃的氯化苄的丙酮溶液中加入N,N‑二甲基乙醇胺的丙酮溶液混合均匀，氯化苄和N,N‑二甲基乙醇胺的质量比为(2.4‑2.6)：(1.6‑2.0)，得到混合液；步骤2，将混合液在40‑60℃下进行热处理，氯化苄与N,N‑二甲基乙醇胺发生季铵化反应，得到反应液；步骤3，将反应液中的杂质去除后用正己烷洗涤，之后分离产物后干燥，得到N‑苄基‑2‑羟基‑N，N‑二甲基乙烷‑1‑氯化铵，操作简单，生产成本低，耗时少，后处理方便，合成路线易于简捷。

  公开号：

  CN112830880A
• 作为试剂：
  描述：

  氯仿 、 1,4-环己二烯 在 sodium hydroxide 、 苄基二甲基(2-羟乙基)氯化铵 作用下， 生成 7,7-dichlorobicyclo<4,1,0>hept-3-ene 、 4,4,8,8-tetrachlorotricyclo<5.1.0^1,7.0^3,5>octane
  参考文献：
  名称：

  Synthesis and reactions of 1,6-dithiocyanato- and 1,6-diiodo-1,3,5-cycloheptatrienes

  摘要：

  DOI：

  10.1021/jo00202a008

文献信息

• Effect of the cation structure on the thermal stability of ionic liquids, quaternary ammonium tetrachloroferrates(III)
  作者：L. I. Voronchikhina、O. E. Zhuravlev、N. V. Verolainen、N. I. Krotova

  DOI：10.1134/s1070363216060153

  日期：2016.6

  New ionic liquids, tetrachloroferrates(III) of quaternary ammonium salts [(CH3)2NR1R2]FeCl4 [R1 = CH3; C4H9; (CH2)3CN. R2 = C10H21; C16H33; CH2CH2OH; CH2C6H5], were synthesized and their thermal stability was investigated in air in the range 25–600°С. The mechanism of thermal decomposition of the investigated ionic liquids is suggested in agreement with Hofmann’s rule as β-E2-elimination.

  新的离子液体，季铵盐[（CH 3）2 NR 1 R 2 ] FeCl 4 [R 1 = CH 3 ; C 4 H 9；（CH 2）3 CN。R 2＝ C 10 H 21；C 16 H 33；CH 2 CH 2 OH；CH 2 C 6 H 5合成了]，并在25–600°С的空气中研究了它们的热稳定性。提出了与霍夫曼法则（β-E2-消除）相一致的离子液体热分解机理。
• Highly efficient and green esterification of carboxylic acids in deep eutectic solvents without any other additives
  作者：Sumera Yasmin、Wen-Bing Sheng、Cai-Yun Peng、Atta-ur Rahman、Duan-Fang Liao、M. Iqbal Choudhary、Wei Wanga

  DOI：10.1080/00397911.2017.1390138

  日期：2018.1.2

  ABSTRACT A protocol that carboxylic acids esterifies with the quaternary ammonium salt of deep eutectic solvent (DES) is presented, which opens a new access to ester using DES as alkylating agent, solvent, and catalyst. The reaction runs smoothly in DES without any other additives. Substituted cinnamic acids, aromatic acids, and aliphatic acids can be esterified in moderate to good yields. The advantages

  摘要提出了一种羧酸与深共熔溶剂 (DES) 的季铵盐进行酯化的协议，它开辟了使用 DES 作为烷化剂、溶剂和催化剂获得酯的新途径。反应在 DES 中顺利进行，无需任何其他添加剂。取代的肉桂酸、芳香酸和脂肪酸可以以中等至良好的收率进行酯化。该反应的优点是官能团相容性好，反应过程简单。图形概要
• Modified hyaluronic acid for use in musculoskeletal tissue repair
  申请人：Laredo R. Walter

  公开号：US20050137163A1

  公开（公告）日：2005-06-23

  The present invention includes hyaluronic acid complexes of a monovalent alkali metal salt of hyaluronic acid and a tetra alkyl ammonium halide that are suitable for incorporation with tissue scaffolds that are suitable for use in repair and/or regeneration of muscoloskeletal tissue and that include a biodegradable, porous substrate made from a biodegradable, hydrophobic polymer, where the hyaluronic acid complex is substantially insoluble in water at room temperature, yet soluble in mixtures of organic and aqueous solvents in which the selected hydrophobic polymer is soluble.

  本发明包括适用于与适用于修复和/或再生肌肉骨骼组织的组织支架结合的透明质酸复合物，该复合物由透明质酸的一价碱金属盐和四烷基铵卤化物组成，所述组织支架由可降解的、多孔的基质制成，该基质由可降解的、亲水性聚合物制成，其中透明质酸复合物在室温下在水中基本不溶，但在有机和水溶剂混合物中溶解，该混合物中选定的亲水性聚合物可溶解。
• PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND
  申请人：Zhong Guofu

  公开号：US20110224429A1

  公开（公告）日：2011-09-15

  Disclosed is a process of enantioselectively forming an aminoxy compound of Formula (3) In formula (3) R 1 is one of an aliphatic group and an alicyclic group. R 2 is one of hydrogen, an aliphatic group, an alicyclic group, an aromatic group, an arylaliphatic group and an arylalicyclic group. R 3 is one of hydrogen, halogen, hydroxyl, and an aliphatic group with a main chain having 1 to about 10 carbon atoms. The respective aliphatic, alicyclic, aromatic, arylaliphatic or arylalicyclic groups of R 1 , R 2 , and R 3 comprise 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si. The process includes contacting a carbonyl compound of Formula (1) and a nitroso compound of Formula (2) in the presence of a chiral catalyst. The chiral catalyst is a compound of Formula (IX)

  本公开了一种选择性形成化合物的过程，该化合物的化学式为（3）。在化学式（3）中，R1是脂肪族基团和脂环族基团中的一种。R2是氢、脂肪族基团、脂环族基团、芳香族基团、芳基脂肪族基团和芳基脂环族基团中的一种。R3是氢、卤素、羟基和主链含有1至约10个碳原子的脂肪族基团中的一种。R1、R2和R3的各自的脂肪、脂环、芳香、芳基脂肪或芳基脂环基团包括独立选择自N、O、S、Se和Si组成的0至约3个杂原子。该过程包括在手性催化剂的存在下接触化合物的化学式（1）和化合物的化学式（2）。该手性催化剂是化合物的化学式（IX）。
• Thienopyranones as Kinase Inhibitors
  申请人：Morales Guillermo A.

  公开号：US20140073584A1

  公开（公告）日：2014-03-13

  The invention relates to compounds of formula I (or pharmaceutically acceptable salts thereof) as defined herein, pharmaceutical compositions thereof, and their use in manufactures and methods for modulating biological processes including inhibition of kinase activity such as PI-3 kinase.

  本发明涉及公式I（或其药学上可接受的盐）的化合物，其定义如下，以及其制药组合物，以及它们在制造和调节生物过程的方法中的应用，包括抑制激酶活性，如PI-3激酶。