11-溴-1-十一烷硫醇 - CAS号 116129-34-1

物化性质

密度：

1.128 g/mL at 25 °C

计算性质

辛醇/水分配系数(LogP)：

5.4
重原子数：

13
可旋转键数：

10
环数：

0.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

1
氢给体数：

1
氢受体数：

1

安全信息

WGK Germany：

3
危险标志：

GHS07
危险性描述：

H315,H319,H335,H413
危险性防范说明：

P261,P305 + P351 + P338
海关编码：

2930909090

SDS

SDS：e08f42fd6ab678909b5b7c3814c24a31

查看

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 11-Bromo-1-undecanethiol
CAS-No. : 116129-34-1
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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)
Chronic aquatic toxicity (Category 4)
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.
H413 May cause long lasting harmful effects to aquatic life.
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.
S36/37 Wear suitable protective clothing and gloves.
Other hazards
Stench.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C11H23BrS
Molecular Weight : 267,27 g/mol
Component Concentration
11-Bromo-1-undecanethiol
CAS-No. 116129-34-1 -

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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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, Sulphur oxides, Hydrogen bromide gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
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
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
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. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Recommended storage temperature: -20 °C
Handle and store under inert gas.
Specific end use(s)
no data available

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
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour Stench.
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) 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 1,128 g/cm3 at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 6,065
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

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

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
Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals.
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.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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

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.
Contaminated packaging
Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: 3334
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Aviation regulated liquid, n.o.s. (11-Bromo-1-undecanethiol)
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: 9
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine Pollutant: no IATA: no
Special precautions for user
no data available

SECTION 15 - REGULATORY INFORMATION
N/A

SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

上游原料

中文名称英文名称 CAS号化学式分子量

1,11-二溴十一烷 1,11-dibromoundecane 16696-65-4 C₁₁H₂₂Br₂ 314.104

中文名称	英文名称	CAS号	化学式	分子量
1,11-二溴十一烷	1,11-dibromoundecane	16696-65-4	C₁₁H₂₂Br₂	314.104

反应信息

作为反应物：

描述：

11-溴-1-十一烷硫醇在碘作用下，以甲醇为溶剂，以90%的产率得到1,2-bis(11-bromoundecyl)disulfane

参考文献：

名称：

New organic picolylamine-type ligands and electrochemical study of their complexation with Cu(MeCN)4ClO4

摘要：

合成了一系列新型有机配体，这些配体带有二二甲苯胺基和二硫化物基团，并通过聚亚甲基、烷基芳基、烷氧基芳基或烷氧基羰基连接。通过循环伏安法对两种合成配体进行了电化学研究，确定了在溶液中或金电极表面与 Cu(MeCN)ClO4 形成的配合物。CuI 与 1,24-双[N,N-双（2-吡啶基甲基）-甘氨酰氧基]-12,13-二硫代四碳烷的配合物化学吸附在金电极上，能够结合溶液中的分子氧。

DOI：

10.1007/s11172-011-0044-8
作为产物：

描述：

1,11-二溴十一烷在硫脲作用下，以乙醇为溶剂，反应 1.0h，生成 11-溴-1-十一烷硫醇

参考文献：

名称：

Controlled Fabrication of Gold/Polymer Nanocomposites with a Highly Structured Poly(N-acylethylenimine) Shell

摘要：

Two families of well-defined organic-inorganic nanocomposites have been synthesized either by attachment of an initiator as a capping self-assembled monolayer on a gold cluster onto which a macromolecule is grown in situ or by preformation of a defined polymer, followed by covalent or adsorptive attachment to a surface-capped metal cluster. The characteristics of these composites are compared in size and local organization. Possessing nanometer-sized gold clusters at the core and poly(N-acylethyl-enimine) chains radially or tangentially connected to the core, the resulting materials were characterized by TEM, GPC, W, IR, NMR, and XPS spectroscopies. Larger particles with narrower polydispersity were obtained by in situ growth of the polymer on a preformed metal cluster, with best results being attained with a mixture of brominated and nonbrominated thiols in which steric accessibility to the initiator sites is varied.

DOI：

10.1021/ma035008i

点击查看最新优质反应信息

文献信息

Immobilized aza-bis(oxazoline) copper catalysts on alkanethiol self-assembled monolayers on gold: Selectivity dependence on surface electronic environments

作者：Christy C. Paluti、Ellen S. Gawalt

DOI：10.1016/j.jcat.2010.07.027

日期：2010.9.30

cyclopropanation reaction was performed in methanol, acetonitrile, ethyl acetate, and acetic acid to determine whether similar trends in selectivity could be obtained by varying the homogenous electronic environment. However, the cyclopropanation reaction in these solvents gave greatly reduced selectivity and yield of the cyclopropane products demonstrating the positive aspects of immobilization of self-assembled

利用五个具有不同电子特性的背景尾基，将氮杂双（恶唑啉）铜络合物固定在金上的烷硫醇自组装单分子膜上。在重氮乙酸乙酯和苯乙烯的标准环丙烷化反应中测试了该催化剂。五个不同的尾基为羟基，溴，羧酸，酯和腈。当周围的尾基为羟基和溴封端的表面时，对映选择性提高到95％。与均相相比，羧酸和酯的尾基降低了对映选择性。另外，在甲醇，乙腈，乙酸乙酯和乙酸中进行均相环丙烷化反应，以确定是否可以通过改变均相电子环境获得相似的选择性趋势。
Remarkable high-yielding chemical modification of gold nanoparticles using uncatalyzed click-type 1,3-dipolar cycloaddition chemistry and hyperbaric conditions

作者：Hossein Ismaili、Abdolhamid Alizadeh、Kristen E. Snell、Mark S. Workentin

DOI：10.1139/v09-138

日期：2009.12

Azide-terminated alkyl thiolate monolayer-protected gold nanoparticles (1-C₁₂MPN) with a core size of 1.8 ± 0.2 nm were prepared. 1-C₁₂MPN was modified in high yields via an uncatalyzed 1,3-dipolar cycloaddition (click-type reaction) with a variety of terminal acyl–alkynes under hyperbaric conditions at 11 000 atm. The resulting 1,2,3-triazole modified MPNs (2-C₁₂MPN) were characterized using ¹H NMR spectroscopy and were verified by comparison of the spectra to those obtained for the products of the model reactions of 1-azidododecane with the same alkynes. TEM analysis showed that the high-pressure conditions did not affect the size of the gold core, suggesting that the only effect is to facilitate the chemical reaction on the particles.

制备了核心尺寸为 1.8 ± 0.2 nm 的叠氮封端烷基硫醇单层保护金纳米粒子（1-C12MPN）。在 11000 个大气压的高压条件下，通过未催化的 1,3-二极环化反应（点击式反应），1-C12MPN 与多种末端酰基炔进行了高产率改性。所得到的 1,2,3-三唑修饰 MPN（2-C12MPN）使用 1H NMR 光谱进行表征，并通过与 1-叠氮十二烷与相同炔烃的模型反应产物的光谱进行比较进行验证。TEM 分析表明，高压条件不会影响金核的大小，这表明高压条件的唯一作用是促进颗粒上的化学反应。
Phosphorus Pentasulfide Mediated Conversion of Primary Carbamates into Thiols

作者：Pradeep Gupta、Chandra Maurya

DOI：10.1055/s-0036-1589026

日期：2017.8

the conversion of primary carbamates into thiols in the presence of phosphorus pentasulfide (P2S5) in refluxing toluene. Presently, no method exists in the literature for conversion of carbamates into thiols and, to the best of our knowledge, it is the first report for this type of conversion. This method presents an indirect route for the conversion of alcohols into thiols via their carbamate derivatives

在本文中，我们报告了一种在回流甲苯中在五硫化二磷 (P2S5) 存在下将伯氨基甲酸酯转化为硫醇的方法。目前，文献中不存在将氨基甲酸酯转化为硫醇的方法，据我们所知，这是此类转化的第一份报告。该方法提供了通过其氨基甲酸酯衍生物将醇转化为硫醇的间接途径，其可用于含有硫醇官能团的化合物的全合成。
Molecular Design using Electrostatic Interactions. Part 2: Synthesis and Properties of Flexible Dipodand Di- and Tetra-cations with Restricted Conformations. Charge, Shape and Size in Molecular Complexation

作者：Peter J. Garratt、Yiu-Fai Ng、Jonathan W. Steed

DOI：10.1016/s0040-4020(00)00279-9

日期：2000.6

in some cases preferentially for one oxidation state, and an X-ray crystallographic analysis of the complex between the tetracation 5 and ferricyanide reveals the complexity involved even in the molecular recognition of small, charged compounds.

合成了具有基于1,2,4,5-，五和六取代的苯的结构的许多二足体阳离子和四阳离子，DABCO取代基提供了正电荷。关于“旁观者”抗衡阳离子对观察到的缔合常数的影响，研究了这些聚阳离子在水中与各种聚阴离子的结合。聚阳离子会沉淀出亚铁氰化物和亚铁氰化物，在某些情况下会优先出现一种氧化态，对四阳离子5和铁氰化物之间的络合物进行X射线晶体学分析，发现即使在分子识别小的带电化合物时也涉及复杂性。
Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO<sub>2</sub>

作者：Ji-Woong Lee、Rafal Klajn

DOI：10.1039/c4cc08541h

日期：——

Metallic nanoparticles co-functionalised with monolayers of UV- and CO₂-sensitive ligands were prepared and shown to respond to these two types of stimuli reversibly and in an orthogonal fashion.

制备了与单层紫外线和CO₂敏感配体共同功能化的金属纳米颗粒，并证明它们可以可逆地对这两种刺激做出反应，并呈正交方式。

11-溴-1-十一烷硫醇 | 116129-34-1

分子结构分类

物化性质

计算性质

安全信息

SDS

上下游信息

反应信息

文献信息

同类化合物

相关结构分类

热门分子