2-Chlorothioxanthen-9-one 2-氯硫代呫吨酮

CAS 86-39-5 MFCD00005067

化学结构图

86-39-5
SMILES: O=c1c2ccccc2sc2ccc(Cl)cc12

化学属性

Mol. FormulaC13H7ClOS
Mol. Weight246.71
Melting Point153-154 °C
Flash Point91°(196°F)
TSCAYes
Appearance 固体，溶解性差，黄色，气味小，价格较高，吸收波长200～420nm。
Density1.417
Boiling Point409.4±44.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-Chlorothioxanthen-9-one
Synonym 2-Chloro-9H-thioxanthen-9-one {LY} 2-Chloro-9H-thioxanthen-9-one {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-9H-thioxanthen-9-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00005067
CAS Number86-39-5
PubChem Substance ID618848
EC Number201-667-2
Reaxys-RN172474
Chemical Name Translation2-氯硫代呫吨酮
LabNetwork Molecule IDLN00200257
InChIInChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
Canonical SMILESClC1=CC=C2SC3=C(C(C2=C1)=O)C=CC=C3
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分类

  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards U - Z, Pharmaceutical Standards, Pharmacopeia Standards,
  • {SNA} Organic Photoinitiators, Polymer Science, Polymerization Initiators, Reagents for Polymerization, Thioxanthones, 材料科学
  • {SNA} Materials Science,

相关文献及参考

  • 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
  • FT-IR 1 (2), 92:C / FT-IR 2 (2), 2512:D / IR-Spectra (2), 791:A / IR-Spectra (3), 903:H / NMR-Reference 2 (2), 96:D / RegBook 1 (2), 1699:H / Sigma FT-IR 1 (1), 979:B / Structure Index 1 , 270:A:5

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 4.1 F
Hazard statements
  • H228 Flammable solid 易燃固体
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Precautionary statements
  • 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。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • 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。
  • P370+P378
Signal word Warning
UN Number 1325
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
Risk Statements
  • R11 Highly flammable 非常易燃
Hazard Class4.1
Packing GroupIII
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

  • 方法一:由邻氨基苯甲酸经重氮化、缩合、闭环而得。先将邻氨基苯甲酸、盐酸、亚硝酸钠混合，于0-5℃进行重氮化反应，得重氮盐溶液；再与对氯苯硫酚的碱溶液进行缩合反应，用盐酸酸化后得4-氯二苯硫-2'羧酸，将其和浓硫酸在60-70℃催化闭环，即得成品。
  • TCI Shanghai:2-氯噻吨酮 2-Chlorothioxanthone,>;98.0%(GC)(86-39-5)
  • 用途一:用作药物氯普噻吨中间体
  • 下游产品:2-氯-9-[3-(二甲基氨基)丙基]噻吨-9-醇 --> 氯哌噻吨 --> 氯普噻吨
  • 用途二:医药中间体，用于合成安定药泰尔登（Chlorprothixene，[113-59-7]）。
  • Sigma Aldrich:86-39-5(sigmaaldrich)
  • MOL 文件:86-39-5.mol
  • 2-氯噻吨酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0292 2-氯噻吨酮 2-Chlorothioxanthone 5G 279元 2014/06/02 C0292 2-氯噻吨酮 2-Chlorothioxanthone 25G 707元 2010/05/25 A18131 2-氯硫代吨酮, 99% 2-Chlorothioxanthone, 99% 25g 584元
  • Alfa Aesar:2-氯硫代吨酮,99% 2-Chlorothioxanthone, 99%(86-39-5)
  • 上游原料:邻氨基苯甲酸 --> 4-氯苯硫酚 --> 二苯硫醚 --> 盐酸亚
  • 图谱信息:2-氯噻吨酮(86-39-5)质谱(MS) 2-氯噻吨酮(86-39-5)核磁图( 13 CNMR) 2-氯噻吨酮(86-39-5)核磁图( 1 HNMR) 2-氯噻吨酮(86-39-5)红外图谱(IR2) 2-氯噻吨酮(86-39-5)红外图谱(IR1)

系列性分类

  1. Materials Science 材料科学
  2. Products for Polymer Science Research
  3. Polymerization Initiators - Polymer Science
  4. Organic Photoinitiators - Polymerization Initiators
  5. Thioxanthones - Organic Photoinitiators
  1. Materials Science 材料科学
  2. Photopolymerization Initiators

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