1-Fluoro-3-Isothiocyanatobenzene 3-氟苯硫代异氰酸酯

CAS 404-72-8 MFCD00004804

化学结构图

404-72-8
SMILES: Fc1cccc(N=C=S)c1

化学属性

Mol. FormulaC7H4FNS
Mol. Weight153.17 g/mol
Boiling Point227°C(lit.)
TSCAT
Density1.270
Refractive index1.6190 to 1.6230
Flash Point85°C(lit.)
pH:A

别名和识别编码

Chemical Name1-Fluoro-3-Isothiocyanatobenzene
CAS Number404-72-8
Alfabeta NameFLUOROPHENYLISOTHIOCYANATE 3-
MDL NumberMFCD00004804
EC Number206-967-7
Beilstein Registry Number12(3)1276
PubChem Substance ID87559990
Synonym 1-FLUORO-3-ISOTHIOCYANATO-BENZENE 1-Fluoro-3-isothiocyanatobenzene; m-Fluorophenyl isothiocyanat 1-fluoro-3-isothiocyanato-benzen 3-FLUOROPHENYL ISOTHIOCYANATE 3-Fluoro-3-isothiocyanato-benzene 3-Fluorophenyl Isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Reaxys-RN2081172
Chemical Name Translation3-氟苯硫代异氰酸酯
Wiswesser Line NotationSCNR CF
InChIKeyHDBACITVPQEAGG-UHFFFAOYSA-N
LabNetwork Molecule IDLN00116463
InChIInChI=1S/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
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分类

  • {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C7, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks, Sulfur Compounds, Thiocyanates/Isothiocyanates

安全信息

Warnings LACHRYMATOR, TOXIC, CORROSIVE
RTECSNX8750000
Packing GroupIII
UN Number 2922 UN 3265 8/PG 2 UN2922
Risk Statements
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Storage condition Moisture Sensitive 0-6°C
GHS Symbol
WGK Germany3
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard Codes C C,T,Xi,Xn
Hazard Class8/6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00949

其他信息

  • Hazard Note:Toxic/Irritant
  • TSCA:T
  • MOL 文件:404-72-8.mol
  • TCI Shanghai:3-氟苯基异硫氰酸酯 3-Fluorophenyl Isothiocyanate,>;98.0%(GC)(404-72-8)
  • Alfa Aesar:3-氟苯硫代异氰酸酯,97+% 3-Fluorophenyl isothiocyanate, 97+%(404-72-8)
  • Sigma Aldrich:404-72-8(sigmaaldrich)
  • 异硫氰酸(3-氟苯)酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0643 异硫氰酸3-氟苯酯 3-Fluorophenyl Isothiocyanate 5G 540元 2014/06/02 F0643 异硫氰酸3-氟苯酯 3-Fluorophenyl Isothiocyanate 25G 1650元 2010/05/25 B25001 3-氟苯硫代异氰酸酯, 97+% 3-Fluorophenyl isothiocyanate, 97+% 5g 577元
  • 图谱信息:异硫氰酸(3-氟苯)酯(404-72-8)红外图谱(IR1) 异硫氰酸(3-氟苯)酯(404-72-8)质谱(MS)
  • 敏感性:Moisture Sensitive

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiocyanates/Isothiocyanates - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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