4-Trifluoromethylphenol 对三氟甲基苯酚

CAS 402-45-9 MFCD00002363

化学结构图

402-45-9
SMILES: Oc1ccc(C(F)(F)F)cc1

化学属性

Mol. FormulaC7H5F3O
Mol. Weight162.11
Melting Point45-47°C
Density1.422
Flash Point84°C
Boiling Point185.5°C at 760 mmHg
Appearance 黄色至橙色透明液体，冬季为固体 ，熔点 40-46°C ,沸点 71.5-72°C (8 mmHg) ,闪点 83°C

别名和识别编码

Chemical Name4-Trifluoromethylphenol
Synonym 4-(Trifluoromethyl)phenol {LY} 4-(Trifluoromethyl)phenol {} {LY} 4-(Trifluoromethyl)phenol {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)phenol
CAS Number402-45-9
PubChem Substance ID67874
EC Number206-945-7
Beilstein Registry Number1637019
MDL NumberMFCD00002363
Reaxys-RN1637019
Chemical Name Translation对三氟甲基苯酚
InChIKeyBAYGVMXZJBFEMB-UHFFFAOYSA-N
LabNetwork Molecule IDLN00008728
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
Canonical SMILESFC(F)(F)C1=CC=C(O)C=C1
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分类

  • {SA} 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

相关文献及参考

  • Beilstein: 6,III,1373

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H228 Flammable solid 易燃固体
  • H318 Causes serious eye damage 严重伤害眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn Xn,Xi Xi
Precautionary statements
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P332+P313
  • P301+P310
  • 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。
  • P302+P350
  • P305+P351+P338+P310
Signal word Danger 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；
  • 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；
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Storage condition 2-8°C, stored under nitrogen, away from moisture {LY} 2-8°C, stored under nitrogen, away from moisture Store at room temperature {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, store
UN Number 1325 UN 2926 4.1/PG 2

其他信息

  • Sigma Aldrich:402-45-9(sigmaaldrich)
  • 下游产品:
  • 对三氟甲基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0644 4-羟基三氟甲苯 4-Hydroxybenzotrifluoride 25G 2180元 2014/06/02 H0644 4-羟基三氟甲苯 4-Hydroxybenzotrifluoride 5G 729元 2010/06/21 176440050 对三氟甲基苯酚 alpha,alpha,alpha-Trifluoro-p-cresol 98% 5 GR 1117元
  • 用途一:用作医药、农药中间体
  • Hazard Note:Irritant/Keep Cold
  • TCI Shanghai:4-羟基三氟甲苯 4-Hydroxybenzotrifluoride,>;98.0%(GC)(T)(402-45-9)
  • MSDS 信息:alpha,alpha,alpha-Trifluoro-p-cresol(402-45-9).msds
  • 制备方法:氯硅烷和溴三氟甲烷在-59℃反应生成三氟甲基硅烷，三氟甲基硅烷和苯醌在催化剂存在下反应得到4-三乙基硅氧基-4-三氟甲基-2,5-环己二烯-1-酮，锌粉还原得到对三氟甲基苯酚，收率为71%。此法避免了传统工艺中氢氟酸的使用，但反应要在无水条件下进行，若有水存在，在水和碱的作用下，三氟甲基硅烷会迅速变成硅醇。反应所用的催化剂都是碱，碱的强度和催化活性之间没有联系，目前尚不清楚催化剂在反应中的作用，但没有催化剂，反应就无法进行。
  • MOL 文件:402-45-9.mol
  • 检测方法:HPLC
  • 海关编码:29081000
  • 图谱信息:对三氟甲基苯酚(402-45-9)红外图谱(IR2) 对三氟甲基苯酚(402-45-9)红外图谱(IR1) 对三氟甲基苯酚(402-45-9)核磁图( 1 HNMR) 对三氟甲基苯酚(402-45-9)质谱(MS) 对三氟甲基苯酚(402-45-9)核磁图( 13 CNMR)
  • Acros Organics:对三氟甲基苯酚 alpha,alpha,alpha-Trifluoro-p-cresol, 98%(402-45-9)

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. 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. Oxygen Compounds 氧化合物
  5. Protected Alcohols/Phenols - Oxygen 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
  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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