3-Hydroxybenzotrifluoride 间三氟甲基苯酚

CAS 98-17-9 MFCD00002299

化学结构图

98-17-9
SMILES: OC1CCCC(C(F)(F)F)C1

化学属性

Mol. FormulaC7H5F3O
Mol. Weight162.11
Boiling Point178-179°C at 760 mmHg
TSCAYes
Melting Point-2-1.8°C
Refractive index1.4550 to 1.4600
Density1.333
Vapor Pressure0.56 mmHg ( 40 °C)
Flash Point73°C
Appearance 淡黄色油状液体，易溶于乙醇、苯、乙醚等有机溶剂，难溶于水，有刺激性。沸 点178～179℃，折光率1.4580，相对密度1.333，闪点73℃。
Solubilityinsoluble

别名和识别编码

Chemical Name3-Hydroxybenzotrifluoride
CAS Number98-17-9
Alfabeta NameHYDROXYBENZOTRIFLUORIDE 3-
MDL NumberMFCD00002299
Synonym 3-(Trifluoromethyl)phenol {LY} 3-(Trifluoromethyl)phenol {} {LY} 3-(Trifluoromethyl)phenol {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7376
EC Number202-645-5
Beilstein Registry Number6(1)187
Chemical Name Translation间三氟甲基苯酚
Reaxys-RN2045663
InChIKeyUGEJOEBBMPOJMT-UHFFFAOYSA-N
Wiswesser Line NotationQR CXFFF
LabNetwork Molecule IDLN00235940
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
Canonical SMILESOC1=CC=CC(C(F)(F)F)=C1
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分类

  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment

产品应用

  • 农药、药物和染料中间体。

相关文献及参考

  • Beilstein:6(1)187
  • Short: II/2
  • Short: II/19b

安全信息

Warnings IRRITANT-HARMFUL, TOXIC
GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi,T Xi
RTECSGP3510000
Precautionary statements
  • 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。
  • P305+P351+P338
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P332+P313
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P310
  • P403+P235
Signal word Warning
Safety Statements
  • 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；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • 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）；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • 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
Packing GroupIII
UN Number UN3265 1325 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 57 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 38,570,1949

Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Alfa Aesar:3-羟基三氟甲苯,98+% 3-(Trifluoromethyl)phenol, 98+%(98-17-9)
  • Sigma Aldrich:98-17-9(sigmaaldrich)
  • TSCA:T
  • 蒸气压:0.56 mm Hg ( 40 °C)
  • 易溶于乙醇、苯、乙醚等有机溶剂，难溶于水，有刺激性。
  • 图谱信息:间三氟甲基苯酚(98-17-9)红外图谱(IR1) 间三氟甲基苯酚(98-17-9)核磁图( 1 HNMR) 间三氟甲基苯酚(98-17-9)质谱(MS) 间三氟甲基苯酚(98-17-9)Raman光谱
  • 用途一:用作农药、药物和染料中间体
  • Hazard Note:Irritant
  • Acros Organics:3-(三氟甲基)苯酚 alpha,alpha,alpha-Trifluoro-m-cresol, 98+%(98-17-9)
  • 间三氟甲基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0436 3-三氟甲基苯酚 3-Hydroxybenzotrifluoride 250G 1920元 2014/06/02 T0436 3-三氟甲基苯酚 3-Hydroxybenzotrifluoride 25G 409元 2010/06/21 168470250 间三氟甲基苯酚 alpha,alpha,alpha-Trifluoro-m-cresol 98+% 25 ML 573元
  • 检测方法:GC,NMR
  • TCI Shanghai:3-三氟甲基苯酚 3-Hydroxybenzotrifluoride,>;98.0%(GC)(98-17-9)
  • MOL 文件:98-17-9.mol
  • 用途二:用作农药、医药和染料中间体

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Organic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Trifluoromethyl 三氟甲基
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C6 to C8 - Phenols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers

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