2,4-二氟邻苯二酚 | 195136-71-1

• 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: 2,4-二氟邻苯二酚
• 中文别名: 2,4-二氟间苯二酚
• 英文名称: 2,4-difluororesorcinol
• 英文别名: 2,4-difluorobenzene-1,3-diol
• CAS: 195136-71-1
• 化学式: C₆H₄F₂O₂
• mdl: MFCD09836234
• 分子量: 146.093
• InChiKey: IBNBFQFUGXNAKU-UHFFFAOYSA-N

物化性质

• 熔点：
  57-88 °C
• 沸点：
  211.3±35.0 °C(Predicted)
• 密度：
  1.542±0.06 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：125 mg/mL（855.64 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 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：
  40.5
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  T
• 安全说明：
  S45
• 危险类别码：
  R25
• 海关编码：
  2908199090
• WGK Germany：
  3
• 危险标志：
  GHS06
• 危险品运输编号：
  UN 2811 6.1/PG 3
• 危险性描述：
  H301
• 危险性防范说明：
  P301 + P310
• 储存条件：
  -20°C

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2,4-Difluororesorcinol
CAS-No. : 195136-71-1

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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]
Acute toxicity, Oral (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Toxic if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
Toxic if swallowed.
Precautionary statement(s)
P301 + P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R25 Toxic if swallowed.
S-phrase(s)
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : 2,4-Difluorobenzene-1,3-diol
2,4-Difluoro-1,3-dihydroxy benzene
Formula : C6H4F2O2
Molecular Weight : 146,09 g/mol
Component Concentration
2,4-Difluororesorcinol
CAS-No. 195136-71-1 -

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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
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
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 fluoride
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 vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. 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.
Recommended storage temperature: -20 °C
Store under inert gas. Heat sensitive.
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
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 N99 (US) or type P2 (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).

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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 Melting point/range: 57 - 88 °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- log Pow: 1,744
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
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion Toxic if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause 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: 2811 IMDG: 2811 IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (2,4-Difluororesorcinol)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (2,4-Difluororesorcinol)
IATA: Toxic solid, organic, n.o.s. (2,4-Difluororesorcinol)
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
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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

2,4-二氟间苯二酚是一种含有氟化的建筑砌块[1]。

反应信息

• 作为反应物：
  描述：

  2,4-二氟邻苯二酚 在 甲烷磺酸 、 氢溴酸 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 1.75h， 生成 MorphAc-hPhe-Ala-Tyr(OMe)-3-cyclohexyl-L-Ala-[CH2SO2]-DFMHC
  参考文献：
  名称：

  具有直接荧光信号的用于组成型和免疫蛋白酶体的可调探针

  摘要：

  亲电试剂通常用于抑制蛋白酶。值得注意的是，蛋白酶体抑制剂是细胞存活的关键因素，也是几种FDA批准药物的靶标，其主要特征是亲电头基的反应性。我们旨在通过改变离去基团来调节肽磺酸酯的抑制强度。确实，蛋白酶体抑制与离去基团的p K a密切相关。使用荧光团作为离去基团使我们能够设计探针，该探针在反应后释放化学计量的荧光信号，从而直接将蛋白酶体失活与读数联系起来。该原理可能适用于其他基于磺酰氟的抑制剂，并允许设计用于酶研究的敏感探针。

  DOI：

  10.1002/anie.201605753
• 作为产物：
  描述：

  四氟苯 在 盐酸 、 palladium 10% on activated carbon 、 氢气 、 三溴化硼 、 sodium nitrite 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， -5.0~20.0 ℃ 、310.27 kPa 条件下， 反应 0.42h， 生成 2,4-二氟邻苯二酚
  参考文献：
  名称：

  [EN] FLUORINATED 4' ALKYLUMBELLIFERYL α-D-GLUCOPYRANOSIDES, BIOLOGICAL STERILIZATION INDICATORS INCLUDING THE SAME AND METHODS OF USING THE SAME
  [FR] 4' ALKYLUMBELLIFERYL α-D-GLUCOPYRANOSIDES FLUORÉS, INDICATEUR DE STÉRILISATION BIOLOGIQUE LES COMPRENANT ET PROCÉDÉS D'UTILISATION ASSOCIÉS

  摘要：

  一个独立的生物灭菌指示器包括：一个外壳；包含细菌孢子的、和/或能够产生能催化酶底物裂解的酶的细菌孢子；以及一个易碎容器，其中容器内含有一种组合物，该组合物包括酶底物，如果易碎容器破裂，组合物将接触到细菌孢子以形成具有初始pH在6.0至9.0范围内的混合物。酶底物包括一种由结构式(I)表示的氟代的4'-烷基炔香豆蔻基α-D-葡萄糖吡喃苷，其中R1和R2中的一个是F，另一个是H，R3是具有1至12个碳原子的烷基。还公开了一种包含孤立组分的套件的生物灭菌指示器，其中组分包括（i）包含细菌孢子的、和/或能够产生能催化酶底物裂解的酶的细菌孢子，以及一种评估灭菌过程有效性的方法。

  公开号：

  WO2020115661A1

文献信息

• [EN] QUINAZOLINE COMPOUNDS<br/>[FR] COMPOSÉS QUINAZOLÉINE
  申请人：CANCER REC TECH LTD

  公开号：WO2015079251A1

  公开（公告）日：2015-06-04

  The present invention relates to quinazoline compounds of formula I that function as inhibitors of RET (rearranged during transfection) kinase enzyme activity: (Formula (I)) wherein X, R1, R2, R3, R4, R5, R6 and R7 are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which RET kinase activity is implicated.

  本发明涉及式I的喹唑啉化合物，其作为RET（重排基因转座）激酶酶活性的抑制剂：（式（I）），其中X，R1，R2，R3，R4，R5，R6和R7如本文所定义。本发明还涉及制备这些化合物的方法，包括它们的药物组合物，以及它们在治疗增殖性疾病（如癌症）以及其他涉及RET激酶活性的疾病或症状中的用途。
• Fluorinated resorufin compounds and their application
  申请人：Batchelor Robert

  公开号：US20050096315A1

  公开（公告）日：2005-05-05

  The invention provides novel fluorinated resorufin compounds that are of use in a variety of assay formats. Also provided are methods of using the compounds and kits that include a compound of the invention and instructions detailing the use of the compound in one or more assay formats.

  这项发明提供了新颖的氟化resorufin化合物，可用于各种测定格式。还提供了使用这些化合物的方法，以及包括该发明化合物和详细说明如何在一个或多个测定格式中使用该化合物的试剂盒。
• Deglycase-activity oriented screening to identify DJ-1 inhibitors
  作者：Igor Maksimovic、Efrat Finkin-Groner、Yoshiyuki Fukase、Qingfei Zheng、Shan Sun、Mayako Michino、David J. Huggins、Robert W. Myers、Yael David

  DOI：10.1039/d1md00062d

  日期：——

  Tracking the esterase activity of DJ-1 via a fluorescent-based scalable assay to uncover and develop candidates with enhanced potency.

  通过基于荧光的可扩展测定方法跟踪DJ-1的酯酶活性，以发现并开发具有增强效力的候选物。
• PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF
  申请人：Arstad Erik

  公开号：US20130209361A1

  公开（公告）日：2013-08-15

  The present invention relates to a new synthetic process in which an alkyne and an azide react to form a radioisotopic bioconjugate construct. The reaction is particularly useful for producing compounds for use in imaging and radiotherapy applications. The present invention also provides bioconjugate labels and further relates to the use of these compounds in diagnostic and therapeutic methods. In addition, the invention provides a related process for introducing a radioisotopic halogen atom into a terminal alkyne.

  本发明涉及一种新的合成过程，其中炔烃和叠氮化物发生反应形成放射性同位素生物共轭构造体。该反应特别适用于生产用于成像和放射治疗应用的化合物。本发明还提供了生物共轭标记物，并进一步涉及将这些化合物用于诊断和治疗方法。此外，该发明提供了一种相关的过程，用于将放射性卤原子引入末端炔烃中。
• [EN] BISTRIFILATE-BASED FLUOROGENIC PROBES FOR DETECTION OF SUPEROXIDE ANION RADICAL<br/>[FR] SONDES FLUOROGÈNES À BASE DE BISTRIFLATES PERMETTANT LA DÉTECTION DE RADICAUX D'ANIONS SUPEROXYDES
  申请人：UNIV HONG KONG

  公开号：WO2015113455A1

  公开（公告）日：2015-08-06

  The invention provides fluorogenic compounds and probes that can be used as reagents for measuring, detecting and/or screening superoxide. The fluorogenic compounds of the invention can produce fluorescence colors, such as green, yellow, red, or far-red. The invention further provides fluorogenic compounds for selectively staining superoxide in the mitochondria of living cells. The invention also provides methods that can be used to measure, directly or indirectly, the presence and/or amount of superoxide in chemical samples and biological samples such as cells and tissues in living organisms, and a high-throughput screening methods for detecting or screening superoxide or compounds that can increase or decrease the level of superoxide in chemical and biological samples.

  本发明提供了可用于测量、检测和/或筛选超氧阴离子的发光化合物和探针。本发明的发光化合物能够产生例如绿色、黄色、红色或远红色的荧光。本发明进一步提供了用于选择性地染色活细胞线粒体中超氧阴离子的发光化合物。本发明还提供了可用于直接或间接测量化学样品和生物样品（如活生物体中的细胞和组织）中超氧阴离子的存在和/或量的方法，以及用于检测或筛选超氧阴离子或能够增加或减少化学和生物样品中超氧阴离子水平的化合物的高通量筛选方法。