113028-75-4

• 常用中文名：3,4-二氟苯异硫氰酸酯
• 常用英文名：3,4-Difluorophenyl isothiocyanate
• CAS号：113028-75-4
• 分子式：C₇H₃F₂NS
• 分子量：171.16700
• 相关类别： 化学试剂 有机试剂 氰酸酯/异氰酸酯
• 发布时间：2018-06-07 07:22:32
• 更新时间：2024-01-13 08:58:20

名称

• 中文名: 3,4-二氟苯异硫氰酸酯
• 英文名: 3,4-Difluorophenyl isothiocyanate
• 中文别名: 3,4-二氟苯基硫代异氰酸酯
• 英文别名: 3,4-Difluorophenylisothiocyanate; Isothiocyanic Acid 3,4-Difluorophenyl Ester; MFCD00175109; 1,2-difluoro-4-isothiocyanatobenzene

物化性质

• 密度: 1.26g/cm3
• 沸点: 236.7ºC at 760mmHg
• 分子式: C₇H₃F₂NS
• 分子量: 171.16700
• 闪点: 97ºC
• 精确质量: 170.99500
• PSA: 44.45000
• LogP: 2.69910
• 外观性状: 液体
• 折射率: 1.60
• 储存条件: 存放于惰性气体之中;避免空气

MSDS

3,4-Difluorophenyl Isothiocyanate SAFETY DATA SHEET Section1. IDENTIFICATION Product name:3,4-Difluorophenyl Isothiocyanate 5.3 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Acute toxicity (Oral)Category 4 Category 4 Acute toxicity (Inhalation) Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation Specific target organ toxicityRespiratory tract irritation - Single exposure [Category 3] ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Warning Signal word Hazard statementsHarmful if swallowed or if inhaled Causes skin irritation Causes serious eye irritation May cause respiratory irritation Precautionary statements: Avoid breathing dust/fume/gas/mist/vapours/spray. [Prevention] Use only outdoors or in a well-ventilated area. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. 3,4-Difluorophenyl Isothiocyanate Section2. HAZARDS IDENTIFICATION [Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician if you feel unwell. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Call a POISON CENTER or doctor/physician if you feel unwell. [Storage]Store in a well-ventilated place. Keep container tightly closed. Store locked up. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance 3,4-Difluorophenyl Isothiocyanate Components: Percent:>98.0%(GC) CAS Number:113028-75-4 Synonyms:Isothiocyanic Acid 3,4-Difluorophenyl Ester Chemical Formula:C7H3F2NS Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Call a POISON CENTER or doctor/physician if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Unsuitable extinguishing Solid streams of water media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use extra personal protective equipment (self-contained breathing apparatus). Keep Personal precautions, protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non- emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. 3,4-Difluorophenyl Isothiocyanate Section6. ACCIDENTAL RELEASE MEASURES Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool, dark and well-ventilated place. Store under inert gas. Store locked up. Store away from incompatible materials such as oxidizing agents. Air-sensitive Comply with laws. Packaging material: Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Impervious gloves. Hand protection: Eye protection:Safety goggles. A face-shield, if the situation requires. Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:Clear Very pale yellow - Pale yellow Colour: Odour:No data available pH: No data available Melting point/freezing point:No data available Boiling point/range:170°C Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:1.35 Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents 3,4-Difluorophenyl Isothiocyanate Section10. STABILITY AND REACTIVITY Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride, Sulfur products:oxides Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil Log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:6.1: Toxic substance. 2810 UN-No: Proper shipping name:Toxic liquid, organic, n.o.s. III Packing group: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. 3,4-Difluorophenyl Isothiocyanate SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 海关编码: 2930909090

合成路线

75-15-0 3863-11-4 ~86% 113028-75-4

文献：Chaskar; Yewale; Bhagat; Langi Synthetic Communications, 2008 , vol. 38, # 12 p. 1972 - 1975

541-41-3 3863-11-4 ~% 113028-75-4

文献：US5086049 A1, ;

144514-15-8 ~% 113028-75-4

文献：Journal of Medicinal Chemistry, , vol. 35, # 25 p. 4727 - 4738

3863-11-4 ~% 113028-75-4

文献：Organic Preparations and Procedures International, , vol. 32, # 6 p. 571 - 573

上下游产品

上游产品  4
75-15-0 3863-11-4 541-41-3 144514-15-8
下游产品  6
112984-60-8 113046-72-3 123447-62-1 113028-17-4
84339-08-2 84339-10-6

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%