4-Bromobenzophenone 对溴二苯甲酮

CAS 90-90-4 MFCD00000103

化学结构图

90-90-4
SMILES: O=C(c1ccccc1)c1ccc(Br)cc1

化学属性

Mol. FormulaC13H9BrO
Mol. Weight261.11
Boiling Point346.8°C at 760 mmHg
Melting Point78-82°C
TSCANo
Density1.422
Flash Point81.3°C

别名和识别编码

Chemical Name(4-Bromophenyl)phenylmethanone
MDL NumberMFCD00000103
CAS Number90-90-4
Reaxys-RN1910182
Beilstein Registry Number1910182
PubChem Substance ID7030
EC Number202-024-9
Synonym (4-Bromophenyl)(phenyl)methanone {LY} (4-Bromophenyl)(phenyl)methanone {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} { {} {} {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} {} {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Bromophenyl)(phenyl)methanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Bromophenyl
Chemical Name Translation对溴二苯甲酮
Wiswesser Line NotationER DVR
InChIKeyKEOLYBMGRQYQTN-UHFFFAOYSA-N
LabNetwork Molecule IDLN00205878
InChIInChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
Canonical SMILESO=C(C1=CC=C(Br)C=C1)C2=CC=CC=C2
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分类

  • Building Blocks, C13 to C14, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C13 to C14, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Beil. 7 ,422
  • FT-IR 1 (2), 61:C / FT-IR 2 (2), 2456:A / IR-Spectra (2), 775:E / IR-Spectra (3), 886:D / NMR-Reference 2 (2), 64:D / RegBook 1 (2), 1669:G / Sax 6 , 521 / Structure Index 1 , 264:B:2 / Vapor Phase 3 , 1268:D
  • 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

安全信息

RTECSDJ0350000
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
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
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P304+P340
  • P305+P351+P338
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00450

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
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
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。

其他信息

  • 储运特性:库房干燥通风低温
  • Alfa Aesar:4-溴-二苯甲酮,98% 4-Bromobenzophenone, 98%(90-90-4)
  • 类别:有毒物质
  • 毒性分级:高毒
  • 图谱信息:4-溴苯甲酰苯(90-90-4)红外图谱(IR1) 4-溴苯甲酰苯(90-90-4)质谱(MS) 4-溴苯甲酰苯(90-90-4)核磁图( 13 CNMR) 4-溴苯甲酰苯(90-90-4)核磁图( 1 HNMR)
  • 灭火剂:水,二氧化碳,泡沫,沙土,干粉
  • MOL 文件:90-90-4.mol
  • TCI Shanghai:4-溴二苯甲酮 4-Bromobenzophenone,>;98.0%(GC)(90-90-4)
  • 可燃性危险特性:热分解排出有毒溴化物烟雾
  • 4-溴苯甲酰苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1917 4-溴二苯甲酮 4-Bromobenzophenone 25G 448元 2010/06/21 106720250 4-溴苯甲酰苯 4-Bromobenzophenone 97% 25 GR 533元 2010/06/21 106721000 4-溴苯甲酰苯 4-Bromobenzophenone 97% 100 GR 1524元
  • 急性毒性:腹腔-小鼠 LD50: 100 毫克/公斤; 静脉-小鼠 LD50: 100 毫克/公斤
  • Sigma Aldrich:90-90-4(sigmaaldrich)
  • Acros Organics:4-溴二苯甲酮 4-Bromobenzophenone, 97%(90-90-4)

系列性分类


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