3,5-二氟-4-氯苯酚 | 2268-03-3

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 3,5-二氟-4-氯苯酚
• 中文别名: 4-氯-3,5-二氟苯酚
• 英文名称: 4-chloro-3,5-difluoro-phenol
• 英文别名: 4-Chlor-3,5-difluor-phenol；4-Chloro-3,5-difluorophenol
• CAS: 2268-03-3
• 化学式: C₆H₃ClF₂O
• mdl: MFCD06658279
• 分子量: 164.539
• InChiKey: OEBQPSQPCDHCKT-UHFFFAOYSA-N

物化性质

• 沸点：
  225.5±35.0 °C(Predicted)
• 密度：
  1.520±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2908199090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Chloro-3,5-difluorophenol
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Chloro-3,5-difluorophenol
CAS number: 2268-03-3

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H3ClF2O
Molecular weight: 164.5

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen chloride, hydrogen fluoride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,5-二氟-4-氯苯酚 、 氯乙酸 在 sodium hydroxide 作用下， 生成 2-(4-chloro-3,5-difluorophenoxy)acetic acid
  参考文献：
  名称：

  Aromatic Fluorine Compounds. VIII. Plant Growth Regulators and Intermediates^1,2

  摘要：

  DOI：

  10.1021/ja01510a021
• 作为产物：
  描述：

  4-氯-3,5-二氟苯胺 在 磷酸 、 硫酸 、 sodium nitrite 作用下， 生成 3,5-二氟-4-氯苯酚
  参考文献：
  名称：

  Aromatic Fluorine Compounds. VIII. Plant Growth Regulators and Intermediates^1,2

  摘要：

  DOI：

  10.1021/ja01510a021

文献信息

• [EN] N-CYCLOBUTYL-IMIDAZOPYRIDINE OR -PYRAZOLOPYRIDINE CARBOXAMIDES AS TRPV1 ANTAGONISTS<br/>[FR] CARBOXAMIDES DE N-CYCLO-BUTYLIMIDAZOPYRIDINE OU DE N-CYCLO-PYRAZOLOPYRIDINE COMME ANTAGONISTES DE TRPV1
  申请人：GLAXO GROUP LTD

  公开号：WO2012072512A1

  公开（公告）日：2012-06-07

  A compound of formula (I) wherein X1 represents a hydrogen atom, or a CH2OH group X2 represents a hydrogen atom, a fluorine atom, an OCH3 group or a CH2OH group, and at least one of X1 and X2 is hydrogen Y represents a carbon atom and Z represents a nitrogen atom or Y represents a nitrogen atom and Z represents a carbon atom; R1 represents a halogen atom, a C1-4 alkyl group, a trifluoromethyl group or a trifluoromethoxy group, and R2 are R3 each independently selected from a hydrogen atom, a halogen atom, a C1-4 alkyl group, a trifluoromethyl group or a trifluoromethoxy group; or a pharmaceutically acceptable salt or solvate thereof.

  式（I）的化合物，其中X1代表氢原子或CH2OH基团，X2代表氢原子、氟原子、OCH3基团或CH2OH基团，X1和X2中至少有一个为氢，Y代表碳原子，Z代表氮原子或Y代表氮原子，Z代表碳原子；R1代表卤素原子、C1-4烷基基团、三氟甲基基团或三氟甲氧基团，R2和R3各自独立地选自氢原子、卤素原子、C1-4烷基基团、三氟甲基基团或三氟甲氧基团；或其药用可接受的盐或溶剂。
• [EN] GPR52 MODULATORS AND METHODS OF USE<br/>[FR] MODULATEURS DE GPR52 ET PROCÉDÉS D'UTILISATION
  申请人：NEUROCRINE BIOSCIENCES INC

  公开号：WO2021216705A1

  公开（公告）日：2021-10-28

  The present disclosure relates to compounds of Formula (I) that modulate the activity of G-protein coupled receptor 52 (GPR52), pharmaceutically acceptable salts of compounds of Formula (I), and pharmaceutical compositions thereof. Compounds, pharmaceutical salts of compounds, and pharmaceutical compositions of the present disclosure are directed to methods useful in the treatment or prophylaxis of a neurological disease or disorder and conditions related thereto.

  本公开涉及式(I)化合物，该化合物调节G蛋白偶联受体52（GPR52）的活性，化合物的药学可接受盐以及其制备的药物组合物。本公开的化合物、化合物的药学盐以及药物组合物，用于治疗或预防神经系统疾病或障碍及相关疾病的方法。
• CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE
  申请人：HASEBA YASUHIRO

  公开号：US20130085306A1

  公开（公告）日：2013-04-04

  A liquid crystal compound and a liquid crystal medium are described. The liquid crystal compound is stable to heat and light and has a large dielectric anisotropy and a large optical anisotropy. The liquid crystal medium has a wide temperature range of liquid crystal phase, a large optical anisotropy and a large dielectric anisotropy, and exhibits an optically isotropic liquid crystal phase. The liquid crystal compound has 4 or 5 benzene rings, one of which is a chlorofluorobenzene ring. The liquid crystal medium is characterized in containing the liquid crystal compound and a chiral dopant and exhibiting an optically isotropic liquid crystal phase.

  描述了一种液晶化合物和液晶介质。该液晶化合物对热和光稳定，并具有较大的介电各向异性和较大的光学各向异性。液晶介质具有宽广的液晶相温度范围，较大的光学各向异性和较大的介电各向异性，并表现出光学各向同性的液晶相。该液晶化合物具有4或5个苯环，其中一个是氯氟苯环。该液晶介质的特点是含有该液晶化合物和一个手性掺杂剂，并表现出光学各向同性的液晶相。
• CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE
  申请人：Yasuhiro Haseba

  公开号：US20100296029A1

  公开（公告）日：2010-11-25

  A liquid crystal compound and a liquid crystal medium are described. The liquid crystal compound is stable to heat and light and has a large dielectric anisotropy and a large optical anisotropy. The liquid crystal medium has a wide temperature range of liquid crystal phase, a large optical anisotropy and a large dielectric anisotropy, and exhibits an optically isotropic liquid crystal phase. The liquid crystal compound has 4 or 5 benzene rings, one of which is a chlorofluorobenzene ring. The liquid crystal medium is characterized in containing the liquid crystal compound and a chiral dopant and exhibiting an optically isotropic liquid crystal phase.

  本文描述了一种液晶化合物和液晶介质。该液晶化合物对热和光稳定，并具有大的介电各向异性和大的光学各向异性。液晶介质具有广泛的液晶相温度范围，大的光学各向异性和大的介电各向异性，并表现出光学各向同性的液晶相。液晶化合物具有4或5个苯环，其中一个是氯氟苯环。液晶介质的特点在于含有液晶化合物和手性掺杂剂，并表现出光学各向同性的液晶相。
• Cyclic hydrocarbon derivative and liquid crystal composition containing
  申请人：Dainippon Ink and Chemicals, Inc.

  公开号：US05474707A1

  公开（公告）日：1995-12-12

  A cyclic hydrocarbon derivative represented by formula (I): ##STR1## wherein each of Y.sup.1 and Y.sup.2 is independently F, Cl, CN, OCN, SCN, OCF.sub.3, OCF.sub.2 H, OCF.sub.2 CF.sub.3, CF.sub.3, R, --OR, --COOR or --OCOR, wherein R is alkyl, alkenyl or alkoxyalkyl, provided that at least one of Y.sup.1 and Y.sup.2 is R, --OR, --COOR or --OCOR; each of Z, Z.sup.1, Z.sup.2, Z.sup.3 and Z.sup.4 is independently a single bond, --CH.sub.2 CH.sub.2 --, --CH.dbd.CH--, --C.tbd.C--, --COO--, --OCO--, --CH.sub.2 O--, OCH.sub.2 --, --(CH.sub.2).sub.4 --, --(CH.sub.2).sub.3 --O-- or --O--(CH.sub.2).sub.3 --; ring A is group of formula (II): ##STR2## wherein each of X.sup.1, X.sup.2, X.sup.3, X.sup.4, X.sup.5, X.sup.6, X.sup.7, X.sup.8, X.sup.9, and X.sup.10 is independently H or D, provided that at least one of them is D; each of rings K, L, J, M and N is independently trans-1,4-cyclohexylene, 1,4-cyclohexenylene, substituted trans-1,4-cyclohexylene, 1,4-phenylene, substituted 1,4-phenylene, 1,3-dioxane-2,6-diyl, pyrimidine-2,5-diyl, pyridine-2,5-diyl, pyarazine-2,5-diyl or a group of formula (III): ##STR3## wherein each of X.sup.11, X.sup.12, X.sup.13, X.sup.14, X.sup.15, X.sup.16, X.sup.17, X.sup.18, X.sup.19, and X.sup.20 is independently H or D, provided that at least one of them is D; in which the ring of formula (III) may be the same as or different from ring A; and k, l, m, and n each independently is 0 or 1, provided that the sum of k, l, m, and n is 0, 1 or 2. The compound is useful as an electro-optic liquid crystal display material.

  公式（I）所表示的是一个环烃衍生物，其中Y1和Y2中的每一个都是独立的F、Cl、CN、OCN、SCN、OCF3、OCF2H、OCF2CF3、CF3、R、-OR、-COOR或-OCOR，其中R是烷基、烯基或烷氧基，前提是Y1和Y2中的至少一个是R、-OR、-COOR或-OCOR；Z、Z1、Z2、Z3和Z4中的每一个都是单键、-CH2CH2-、-CH=CH-、-C≡C-、-COO-、-OCO-、-CH2O-、OCH2-、-(CH2)4-、-(CH2)3-O-或-O-(CH2)3-；环A是公式（II）所表示的基团：其中X1、X2、X3、X4、X5、X6、X7、X8、X9和X10中的每一个都是独立的H或D，前提是其中至少一个是D；环K、L、J、M和N中的每一个都是独立的反式1,4-环己基、1,4-环己烯基、取代的反式1,4-环己基、1,4-苯基、取代的1,4-苯基、1,3-二噁烷-2,6-二基、嘧啶-2,5-二基、吡啶-2,5-二基、吡咯烷-2,5-二基或公式（III）所表示的基团：其中X11、X12、X13、X14、X15、X16、X17、X18、X19和X20中的每一个都是独立的H或D，前提是其中至少一个是D；公式（III）所表示的环可以与环A相同或不同；k、l、m和n各自独立地为0或1，前提是k、l、m和n的总和为0、1或2。此化合物可用作电光液晶显示材料。