2-(4-氯苄基硫代)乙烷 | 71501-40-1

• 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: 2-(4-氯苄基硫代)乙烷
• 中文别名: 4-氯苄基-2-羟基乙基硫醚；2-(4-氯苄基硫)乙醇
• 英文名称: 4-chlorobenzyl 2-hydroxyethyl monosulfide
• 英文别名: 4-chlorobenzyl-2-hydroxyethyl sulfide；2-(((4-Chlorophenyl)methyl)thio)ethanol；2-[(4-chlorophenyl)methylsulfanyl]ethanol
• CAS: 71501-40-1
• 化学式: C₉H₁₁ClOS
• mdl: MFCD00020614
• 分子量: 202.705
• InChiKey: DKNBCVYGWWWYEP-UHFFFAOYSA-N

物化性质

• 沸点：
  139-140°C 1mm
• 密度：
  1.249±0.06 g/cm3(Predicted)
• 闪点：
  139-140°C/1mm
• 稳定性/保质期：

  远离氧化物、还原剂、强酸、高温、明火和火花。

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090
• 安全说明：
  S24/25

SDS

---

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 4-CHLOROBENZYL 2-HYDROXYETHYL SULFIDE
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. : 71501-40-1
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
Acute toxicity, Oral (Category 4), H302
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
Xn Harmful R22
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)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards - none

---

SECTION 3: Composition/information on ingredients
Substances
Formula : C9H11ClOS
Molecular Weight : 202,7 g/mol
CAS-No. : 71501-40-1
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
4-CHLOROBENZYL 2-HYDROXYETHYL SULFIDE
Acute Tox. 4; H302 -
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

---

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
Flush eyes with water as a precaution.
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

---

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 chloride 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 dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
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.

---

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

---

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
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
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.
Body Protection
Complete suit protecting against chemicals, 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
Do not let product enter drains.

---

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: 2,764
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
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

---

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 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: KK1150000
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

---

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

---

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.

---

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

---

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

---

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
H302 Harmful if swallowed.
Full text of R-phrases referred to under sections 2 and 3
R22 Harmful if swallowed.
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.

反应信息

• 作为反应物：
  描述：

  2-(4-氯苄基硫代)乙烷 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成 1-氯-4-[[(2-氯乙基)硫代]甲基]苯
  参考文献：
  名称：

  Czobor, Francisc; Cristescu, Carol, Revue Roumaine de Chimie, 2001, vol. 46, # 9, p. 1007 - 1011

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯苄硫醇 、 2-氯乙醇 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以7.3%的产率得到2-(4-氯苄基硫代)乙烷
  参考文献：
  名称：

  作为潜在杀菌剂的有机硫化合物：一些取代的苄基 2-羟乙基低聚硫醚的制备和性质

  摘要：

  摘要 一般类型的化合物 ArCH2SnCH2CH2OH (n = 1–4, Ar = Ph. 2-MeC6H4, 4-MeC6H4, 4-ClC6H4, 4-MeOC6H4; n = 1-3, Ar = 2-ClC6H4; n =2 Ar = 4-FC6H4；n = 3 或 4，Ar = 2-呋喃基）已被制备为三硫化物 PhCH2SSSCH2CH2OH 抗菌化合物的类似物，该化合物存在于植物 Petiveria alliacea）中，并且它们作为农用杀菌剂的潜在应用已得到检验。针对小镰刀菌、尖孢镰刀菌和禾本科青霉病菌的体外试验表明，所有化合物在 1000 ppm 时都对这些微生物产生了 > 80% 的控制。100 和 10 ppm 的测试表明控制水平不同，但活性与存在的硫原子数量无关。选定的化合物也被证明在体内对大麦幼苗上的白粉病具有活性，Borrytis fabae 和 Uromyces

  DOI：

  10.1080/10426500008043656

文献信息

• Compounds
  申请人：Gore Paul Martin

  公开号：US20090270355A1

  公开（公告）日：2009-10-29

  The present invention relates to a compound which is N-(4-4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide and salts thereof, processes for its preparation, to compositions containing it and to its use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及一种化合物，即N-(4-4-[(6-丁基-8-喹啉基)氧基]-1-哌啶基}丁基)乙烷磺酰胺及其盐，以及其制备方法、含有该化合物的组合物，以及在治疗各种疾病（如过敏性鼻炎）中的用途。
• [EN] PHTHALAZINE AND PYRIDO [3,4-D] PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS<br/>[FR] PHTHALAZINE ET COMPOSÉS PYRIDO-[3,4-D]PYRIDAZINE COMME ANTAGONISTES DU RÉCEPTEUR H1
  申请人：GLAXO GROUP LTD

  公开号：WO2009047336A1

  公开（公告）日：2009-04-16

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及式(I)的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的用途。
• Synthesis, characterization, aggregation and electrochemical properties of peripheral octa-2-{[4-(2-benzylphenoxy]benzyl]thio} ethoxy group substituted cobalt(II) phthalocyanine
  作者：Meltem B. SAĞLAM、Zekeriya BIYIKLIOĞLU

  DOI：10.33224/rrch.2020.65.9.07

  日期：——

  We were reported here, the synthesis, characterization, aggregation and electrochemical properties of 4,5-bis(2-[4-(2- benzyl)phenoxy)benzyl]thio}ethoxy)phthalonitrile and 2,3,9,16, 17,23,24-octa[(2-[4-(2-benzyl)phenoxy)benzyl]thio}ethoxy)] phthalociyaninatocobalt(II). CoPc were prepared by the reaction of 4,5-bis(2-[4-(2-benzyl)phenoxy)benzyl]thio}ethoxy) phthalonitrile with the corresponding anhydrous metal salt in n-pentanol and DBU. The structures of the original compounds were identified by using elemental analysis, 1 H-NMR, 13C-NMR, IR, mass and UVvis spectroscopic data. Electrochemical redox characteristics of the compounds were determined by electroanalytical techniques such as cyclic voltammetry, square wave voltammetry. The aggregation tendencies and electrochemical redox properties of all phthalocyanines were investigated on the basis of central metal, solvent medium and substituent effects, using UV-Vis spectral.

  我们在此报告了 4,5-双(2-[4-(2-苄基)苯氧基)苄基]硫}乙氧基)邻苯二甲腈和 2,3,9,16,17,23,24-八[(2-[4-(2-苄基)苯氧基)苄基]硫}乙氧基)]邻苯二甲酰亚胺基钴(II)的合成、表征、聚集和电化学特性。CoPc 是由 4,5-双（2-[4-（2-苄基）苯氧基）苄基]硫}乙氧基）邻苯二甲腈与相应的无水金属盐在正戊醇和 DBU 中反应制备的。利用元素分析、1 H-NMR、13C-NMR、IR、质量和 UVvis 光谱数据确定了原始化合物的结构。利用循环伏安法、方波伏安法等电分析技术测定了化合物的电化学氧化还原特性。根据中心金属、溶剂介质和取代基的影响，利用紫外可见光谱对所有酞菁的聚集倾向和电化学氧化还原特性进行了研究。
• SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS
  申请人：Gore Paul Martin

  公开号：US20110281909A1

  公开（公告）日：2011-11-17

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及公式（I）的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的应用。
• PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS
  申请人：Gore Paul Martin

  公开号：US20100216799A1

  公开（公告）日：2010-08-26

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及公式（I）的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（例如过敏性鼻炎）中的使用。