4-氯-2-环己基酚 | 13081-17-9

• 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: 4-氯-2-环己基酚
• 中文别名: 4-氯-环己基苯酚；4-氯-2-环己基苯酚；对氯邻环己基苯酚
• 英文名称: 4-chloro-2-cyclohexylphenol
• 英文别名: 4-Chlor-2-cyclohexyl-phenol；2-cyclohexyl-4-chlorophenol；cyclohexyl-p-Chlorophenol
• CAS: 13081-17-9
• 化学式: C₁₂H₁₅ClO
• mdl: MFCD00019337
• 分子量: 210.704
• InChiKey: XRUHXAQEOJDPEG-UHFFFAOYSA-N

物化性质

• 熔点：
  59 °C
• 沸点：
  170 °C
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2908199090
• 安全说明：
  S26,S36/37/39

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 4-CHLORO-2-CYCLOHEXYLPHENOL
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. : 13081-17-9
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
Acute toxicity, Oral (Category 3), H301
Skin irritation (Category 2), H315
Serious eye damage (Category 1), H318
Specific target organ toxicity - single exposure (Category 3), H335
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
Xn Harmful R22, R37/38, R41
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 Danger
Hazard statement(s)
H301 Toxic if swallowed.
H315 Causes skin irritation.
H318 Causes serious eye damage.
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.
P280 Wear protective gloves/ eye protection/ face protection.
P301 + P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
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 : C12H15ClO
Molecular Weight : 210,71 g/mol
CAS-No. : 13081-17-9
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
4-CHLORO-2-CYCLOHEXYLPHENOL
Acute Tox. 3; Skin Irrit. 2; Eye -
Dam. 1; STOT SE 3; Aquatic
Chronic 4; H301, H315, H318,
H335, 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. Take victim immediately to hospital. 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, 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
Wear respiratory protection. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. 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.Normal measures for preventive fire
protection.
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
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses 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
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
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) 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).
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: 4,773
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
Irritating to skin.
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
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
Specific target organ toxicity - single exposure
May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
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. 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: 2811 IMDG: 2811 IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (4-CHLORO-2-CYCLOHEXYLPHENOL)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (4-CHLORO-2-CYCLOHEXYLPHENOL)
IATA: Toxic solid, organic, n.o.s. (4-CHLORO-2-CYCLOHEXYLPHENOL)
Transport hazard class(es)
ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1
Packaging group
ADR/RID: III IMDG: III IATA: III
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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氯-2-环己基酚 生成 4-chloro-2-cyclohexyl-anisole
  参考文献：
  名称：

  Abdurasulewa; Mshel'skaja, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 4025; engl. Ausg. S. 3984

  摘要：

  DOI：
• 作为产物：
  描述：

  环己酚 在 氯 作用下， 生成 4-氯-2-环己基酚
  参考文献：
  名称：

  Cyclohexyl-halo-phenols

  摘要：

  公开号：

  US02221809A1

文献信息

• The combination of mononuclear metallocene and phenoxyimine complexes to give trinuclear catalysts for the polymerization of ethylene
  作者：Christian Görl、Helmut G. Alt

  DOI：10.1016/j.jorganchem.2007.10.001

  日期：2007.12

  Trinuclear complexes were synthesized by combination of metallocene and phenoxyimine zirconium complexes. After activation with methylalumoxane (MAO), these catalysts polymerize ethylene with moderate and good activities. Due to the presence of different catalytic centers, polyethylenes with broad or bimodal molecular weight distributions were obtained.

  通过结合茂金属和苯氧基亚胺锆配合物合成三核配合物。用甲基铝氧烷（MAO）活化后，这些催化剂可聚合具有中等活性的乙烯。由于存在不同的催化中心，因此获得了具有宽或双峰分子量分布的聚乙烯。
• [EN] PHENOXYETHER DERIVATIVES AS PPAR MODULATORS<br/>[FR] DERIVES DE PHENOXYETHER UTILISE COMME MODULATEURS DE RECEPTEUR PPAR
  申请人：LILLY CO ELI

  公开号：WO2005037763A1

  公开（公告）日：2005-04-28

  The present invention is directed to a compound of formula (I), or a pharmaceutically acceptable salt, solvate, hydrate or stereoisomer thereof, which is useful in treating or preventing disorders mediated by a peroxisome proliferator activated receptor (PPAR), such as syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to syndrome X and cardiovascular diseases.

  本发明涉及一种式(I)的化合物，或其药学上可接受的盐、溶剂合物、水合物或立体异构体，该化合物在治疗或预防由过氧化物酶体增殖激活受体（PPAR）介导的疾病方面具有用途，如X综合征、2型糖尿病、高血糖、高脂血症、肥胖、凝血障碍、高血压、动脉硬化以及与X综合征和心血管疾病相关的其他疾病。
• Carboxylic Acid Compounds and Use Thereof
  申请人：Inoue Teruhiko

  公开号：US20070197512A1

  公开（公告）日：2007-08-23

  Provision of a superior URAT1 activity inhibitor effective for the treatment and the like of a pathology involving uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urinary lithiasis, renal dysfunction, coronary heart disease, ischemic cardiac diseases and the like. A URAT1 activity inhibitor containing a compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof, or a solvate thereof as an active ingredient: wherein each symbol is as defined in the specification.

  提供一种优越的URAT1活性抑制剂，用于治疗与尿酸有关的病理，如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾病、尿路结石、肾功能障碍、冠心病、缺血性心脏病等。 一种包含下式[1]所表示的化合物或其药学上可接受的盐，或其溶剂化合物的URAT1活性抑制剂作为活性成分： 其中每个符号如规范中定义。
• Synthesis and Antimicrobial Properties of 3-Substituted 1,2-Benzisothiazole 1,1-Dioxides
  作者：Gerald L. Bachman、Joseph W. Baker、Daniel P. Roman

  DOI：10.1002/jps.2600670937

  日期：1978.9

  Twenty aromatic alcohols and thiols were derivatized by reaction with 3-chloro-1,2-benzisothiazole 1,1-dioxide. The resulting 3-substituted 1,2-benzisothiazole 1,1-dioxides were tested against Staphylococcus aureus, Salmonella typhosa, and Aspergillus niger, and their activities were compared with the activities of the precursors.

  通过与3-氯-1,2-苯并噻唑1,1-二氧化物反应，将二十种芳族醇和硫醇衍生化。测试所得的3-取代的1，2-苯并噻唑1，1-二氧化物对金黄色葡萄球菌，鼠伤寒沙门氏菌和黑曲霉的活性，并将其活性与前体的活性进行比较。
• [EN] CRTH2 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR DE CRTH2
  申请人：NOVARTIS AG

  公开号：WO2005105727A1

  公开（公告）日：2005-11-10

  There are provided according to the invention compounds of formula (I) in free or salt form, wherein R1, R2, R3, X, Y, Z, m, and n are as described in the specification, process for preparing them, and their use as pharmaceuticals.

  根据该发明提供了化合物的公式(I)的自由或盐形式，其中R1、R2、R3、X、Y、Z、m和n如规范中所述，以及制备它们的过程，以及它们作为药物的用途。

表征谱图