4-Hydroxy-3-Nitrobenzotrifluoride 4-羟基-3-硝基三氟甲苯

CAS 400-99-7 MFCD00009791

化学结构图

400-99-7
SMILES: O=[N+]([O-])c1cc(C(F)(F)F)ccc1O

化学属性

Mol. FormulaC7H4F3NO3
Mol. Weight207.11
Boiling Point207.4°C at 760 mmHg
TSCAT
Refractive index1.5030 to 1.5070
Density1.473
Flash Point95°C
pH:A

别名和识别编码

Chemical Name4-Hydroxy-3-Nitrobenzotrifluoride
CAS Number400-99-7
Alfabeta NameHYDROXYNITROBENZOTRIFLUORIDE 43---
MDL NumberMFCD00009791
PubChem Substance ID9816
EC Number206-927-9
Reaxys-RN2215510
Beilstein Registry Number2215510
Synonym 2-Nitro-4-(trifluoromethyl)phenol {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Nitro-4-(trifluoromethyl)p
Chemical Name Translation4-羟基-3-硝基三氟甲苯
InChIKeyXZEDEVRSUANQEM-UHFFFAOYSA-N
LabNetwork Molecule IDLN00117020
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
Canonical SMILESOC1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
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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
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment

相关文献及参考

  • Beil. 6 ,IV,2150
  • Aldrich MSDS 1 , 1382:A / Corp MSDS 1 (2), 2607:D / FT-IR 1 (1), 1362:B / FT-IR 2 (2), 2297:C / FT-NMR 1 (2), 732:B / NMR-Reference 2 (1), 1165:C / RegBook 1 (1), 1577:N / Structure Index 1 , 246:D:1 / Vapor Phase 3 , 1208:D
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard Codes Xi
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
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGP2984950
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。
  • 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。
  • 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
  • P305+P351+P338+P337+P313
Signal word
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
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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；
  • S37 Wear suitable gloves 戴适当手套；
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 57,1763,1968

其他信息

  • 图谱信息:4-羟基-3-硝基三氟甲苯(400-99-7)质谱(MS) 4-羟基-3-硝基三氟甲苯(400-99-7)红外图谱(IR1) 4-羟基-3-硝基三氟甲苯(400-99-7)核磁图( 13 CNMR) 4-羟基-3-硝基三氟甲苯(400-99-7)核磁图( 1 HNMR)
  • 毒性分级:中毒
  • MOL 文件:400-99-7.mol
  • TSCA:T
  • Alfa Aesar:2-硝基-4-(三氟甲基)苯酚,98% 2-Nitro-4-(trifluoromethyl)phenol, 98%(400-99-7)
  • Sigma Aldrich:400-99-7(sigmaaldrich)
  • 急性毒性:腹腔-小鼠LD50: 800 毫克/公斤
  • Hazard Note:Irritant
  • 可燃性危险特性:遇明火、高热、氧化剂可燃; 燃烧产生有毒氮氧化物和氟化物烟雾
  • 储运特性:库房通风低温干燥; 与氧化剂、食品添加剂分开存放
  • 灭火剂:二氧化碳、泡沫、砂土、雾状水
  • 4-羟基-3-硝基三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L10604 2-硝基-4-(三氟甲基)苯酚, 98% 2-Nitro-4-(trifluoromethyl)phenol, 98% 5g 2142元 2010/05/25 L10604 2-硝基-4-(三氟甲基)苯酚, 98% 2-Nitro-4-(trifluoromethyl)phenol, 98% 1g 466元
  • 类别:有毒物品

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

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