5-Bromoisatin 5-溴靛红

CAS 87-48-9 MFCD00005719

化学结构图

87-48-9
SMILES: O=C1Nc2ccc(Br)cc2C1=O

化学属性

Mol. FormulaC8H4BrNO2
Mol. Weight226.03
Melting Point247-252°C
Density1.422
Appearance 黄色结晶。熔点255-258℃。

别名和识别编码

Chemical Name5-Bromoisatin
CAS Number87-48-9
Alfabeta NameBROMOISATIN 5-
MDL NumberMFCD00005719
Synonym 5-Bromoindoline-2,3-dione {LY} 5-Bromoindoline-2,3-dione {} {LY} 5-Bromoindoline-2,3-dione {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Bromoindoline-2,3-dione {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID6889
EC Number201-747-7
Beilstein Registry Number383760
Chemical Name Translation5-溴靛红
Reaxys-RN383760
InChIKeyMBVCESWADCIXJN-UHFFFAOYSA-N
Wiswesser Line NotationT56 BMVVJ GE
LabNetwork Molecule IDLN00173168
InChIInChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
Canonical SMILESO=C1NC2=C(C=C(Br)C=C2)C1=O
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分类

  • Building Blocks, C7 to C9, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Indoles
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; amide; ketone; lactame; 1fragment
  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks,

产品应用

  • Indole derivative

相关文献及参考

  • Beil. 21 ,V,10,264
  • FT-IR 1 (2), 394:D / FT-NMR 1 (2), 1440:A
  • Short: III/31a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31a Year: 1993 Keyword: NQR ISBN: 3-540-55146-8 ISBN: 978-3-540-55146-1 Internet Resource: DOI:10.1007/b43999 RefComment: VIII, 437 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1982 and containing the data for 8000 substances in the solid state, distributed among three subvolumes III/20 a, b, and c. Volume III/31 covers the literature published in the period from the end of 1982 through the end of 1989. Included are the data for substances studied for the first time, as well as data for substances already present in the previous volume III/20 if the data published there could be completed or improved by new studies. In total there are 2500 substances in volume III/31, showing the scope and significance of nuclear quadrupole resonance spectroscopy up to recent times.
  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to u

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany2
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
  • H318 Causes serious eye damage 严重伤害眼睛
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSNL7875000
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
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P302+P350
Signal word
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;
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护;
  • 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;
Risk Statements
UN Number 2811
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 680 mg/kg
TOXIC EFFECTS :
   Behavioral - excitement
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 53(2),93,1988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 437 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 15,858,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3430 mg/kg
TOXIC EFFECTS :
   Behavioral - excitement
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 53(2),93,1988

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 下游产品:
  • 类别:有毒物质
  • 毒性分级:高毒
  • Alfa Aesar:5-溴靛红,90+% 5-Bromoisatin, 90+%(87-48-9)
  • 5-溴靛红价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1566 5-溴靛红 5-Bromoisatin 25G 325元 2014/06/02 B1566 5-溴靛红 5-Bromoisatin 250G 1670元 2010/06/21 154230250 5-溴靛红 5-Bromoisatin 98% 25 GR 836元
  • 图谱信息:5-溴靛红(87-48-9)质谱(MS) 5-溴靛红(87-48-9)红外图谱(IR1) 5-溴靛红(87-48-9)红外图谱(IR2) 5-溴靛红(87-48-9)核磁图( 1 HNMR)
  • TCI Shanghai:5-溴靛红 5-Bromoisatin,>;96.0%(LC)(T)(87-48-9)
  • 刺激数据:眼睛-兔 5毫克/24小时 重度
  • Acros Organics:5-溴靛红 5-Bromoisatin, 98%(87-48-9)
  • 灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 可燃性危险特性:热分解排出有毒氮氧化物和溴化物烟雾
  • Sigma Aldrich:87-48-9(sigmaaldrich)
  • 储运特性:库房通风低温干燥
  • MOL 文件:87-48-9.mol
  • Hazard Note:Irritant
  • MSDS 信息:5-Bromoindoline-2,3-dione(87-48-9).msds
  • 急性毒性:口服-小鼠 LD50: 437 毫克/公斤; 腹腔-小鼠 LD50: 437 毫克/公斤

系列性分类


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