4-Chlorothioanisole 4-氯茴香硫醚

CAS 123-09-1 MFCD00013643

化学结构图

123-09-1
SMILES: CSc1ccc(Cl)cc1

化学属性

Mol. FormulaC7H7ClS
Mol. Weight158.65
Boiling Point168-169 °C at 760 mmHg
Density1.22
Refractive index1.5980 to 1.6010
Flash Point90°(194°F)
TSCAYes
Appearance 4-氯茴香硫醚(123-09-1)为无色液体。
Melting Point18-19 °C

别名和识别编码

Chemical Name4-Chlorothioanisole
CAS Number123-09-1
Alfabeta NameCHLOROTHIOANISOLE 4-
MDL NumberMFCD00013643
Synonym 4-Chlorothioanisole {LY} 4-Chlorothioanisole {} {LY} 4-Chlorothioanisole {} {} {LY} 4-Chlorothioanisole {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorothioanisole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number204-600-5
Beilstein Registry Number2041509
PubChem Substance ID31243
Reaxys-RN2041509
Chemical Name Translation4-氯茴香硫醚
Wiswesser Line NotationGR DS1
LabNetwork Molecule IDLN00115289
InChIInChI=1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
Canonical SMILESClC1=CC=C(SC)C=C1
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfides/Disulfides, Sulfur Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfide; 1fragment

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volum

安全信息

Warnings STENCH
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
Risk Statements
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。
  • 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。
  • P305+P351+P338
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P301+P312+P330
RTECSWQ3840000
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn Xn,Xi
Packing GroupIII
Hazard Class6.1(b)
UN Number 2810
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 672 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - changes in motor activity (specific assay)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A082-824

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Behavioral - food intake (animal)
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 1000(Sp Iss
   1),32,1980

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5630 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - changes in motor activity (specific assay)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A082-824

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • Alfa Aesar:4-氯苯基甲基硫醚,98% 4-Chlorothioanisole, 98%(123-09-1)
  • 图谱信息:4-氯茴香硫醚(123-09-1)核磁图( 1 HNMR) 4-氯茴香硫醚(123-09-1)核磁图( 13 CNMR) 4-氯茴香硫醚(123-09-1)红外图谱(IR1) 4-氯茴香硫醚(123-09-1)质谱(MS)
  • TCI Shanghai:4-氯苯甲硫醚 4-Chlorothioanisole,>;95.0%(GC)(123-09-1)
  • Acros Organics:4-Chlorothioanisole, 98%(123-09-1)
  • Sigma Aldrich:123-09-1(sigmaaldrich)
  • Hazard Note:Irritant/Stench
  • 敏感性:Stench
  • 4-氯茴香硫醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1156 4-氯苯甲硫醚 4-Chlorothioanisole 25G 952元 2014/06/02 C1156 4-氯苯甲硫醚 4-Chlorothioanisole 10G 545元 2010/06/21 331350050 4-氯茴香硫醚 4-Chlorothioanisole 98% 5 GR 826元
  • 下游产品:S-甲基-S-(4-氯苯基)亚磺酰亚胺
  • MOL 文件:123-09-1.mol

系列性分类


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