4-Bromo-2-nitrophenol 4-溴-2-硝基苯酚

CAS 7693-52-9 MFCD00082540

化学结构图

7693-52-9
SMILES: O=[N+]([O-])c1cc(Br)ccc1O

化学属性

Mol. FormulaC6H4BrNO3
Mol. Weight218
Melting Point88.0 to 92.0 deg-C
Density1.422
TSCANo
Solubility略溶于水
Appearance 黄色片状或针状结晶。mp 88-92℃。微溶于冷水,易溶于苯.氯仿.醚,溶于醇,与蒸汽挥发,易升华。有害。

别名和识别编码

Chemical Name4-Bromo-2-nitrophenol
CAS Number7693-52-9
Alfabeta NameBROMONITROPHENOL 42---
MDL NumberMFCD00082540
PubChem Substance ID87565182
EC Number231-707-4
Beilstein Registry Number6(4)1363
Reaxys-RN1870312
Synonym nsc402972 4-Bromo-2-nitrophenol 4-溴-2-硝基苯酚 4-Bromo-2-nitro-phenol 2-硝基-4-溴苯酚 4-Brom-2-nitrophenol Phenol, 4-bromo-2-nitro- 4-BROMO-1-HYDROXY-2-NITROBENZENE 2-Nitro-4-bromophenol 4-BROMO-2-NITROPHENOL 2-NITRO-4-BROMOPHENOL
Chemical Name Translation4-溴-2-硝基苯酚
InChIKeyCUTFAPGINUFNQM-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009225
InChIInChI=1S/C6H4BrNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
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分类

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

相关文献及参考

  • Beil. 6 ,243
  • FT-NMR 1 (2), 735:B / RegBook 1 (1), 1579:J / Structure Index 1 , 246:D:3
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddec

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/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。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • 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
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302+H332
  • H303 May be harmfully swallowed 吞食可能有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H330 Fatal if inhaled 吸入致命
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xn
RTECSSJ8370000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Signal word Danger
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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
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
  • 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
  • R20 Harmful by inhalation 吸入有害
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 2802 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (3),31,1993

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3810 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (3),31,1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (3),31,1993

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >60 mg/m3/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (3),31,1993

其他信息

  • 图谱信息:4-溴-2-硝基苯酚(7693-52-9)红外图谱(IR1) 4-溴-2-硝基苯酚(7693-52-9)核磁图( 1 HNMR) 4-溴-2-硝基苯酚(7693-52-9)质谱(MS) 4-溴-2-硝基苯酚(7693-52-9)红外图谱(IR2)
  • 上游原料:二氯甲烷 --> 硝酸 --> 亚硝酸钠 --> 硫酸钠 --> 氯化钠 --> 4-溴苯酚 --> 过一硫酸氢钾复合盐
  • MSDS 信息:2-Nitro-4-bromophenol(7693-52-9).msds
  • Alfa Aesar:4-溴-2-硝基苯酚,98% 4-Bromo-2-nitrophenol, 98%(7693-52-9)
  • Acros Organics:4-Bromo-2-nitrophenol, 98%(7693-52-9)
  • 4-溴-2-硝基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B2363 4-溴-2-硝基苯酚 4-Bromo-2-nitrophenol 25G 1400元 2014/06/02 B2363 4-溴-2-硝基苯酚 4-Bromo-2-nitrophenol 5G 458元 2010/06/21 367920050 4-溴-2-硝基苯酚 4-Bromo-2-nitrophenol 98% 5 GR 589元
  • MOL 文件:7693-52-9.mol
  • Hazard Note:Harmful
  • Sigma Aldrich:7693-52-9(sigmaaldrich)
  • TCI Shanghai:4-溴-2-硝基苯酚 4-Bromo-2-nitrophenol,>;98.0%(GC)(7693-52-9)

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