2-Chloro-1,3-dimethylbenzene 2,6-二甲基氯苯

CAS 6781-98-2 MFCD00000565

化学结构图

6781-98-2
SMILES: Cc1cccc(C)c1Cl

化学属性

Mol. FormulaC8H9Cl
Mol. Weight140.61
Refractive index1.5250 to 1.5290
Boiling Point186°C at 760 mmHg
Density1.061
Melting Point−36°C
Flash Point63.3°C
TSCANo

别名和识别编码

Chemical Name2-Chloro-1,3-dimethylbenzene
Synonym 2-Chloro-1,3-dimethylbenzene {LY} 2-Chloro-1,3-dimethylbenzene {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-1,3-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number6781-98-2
PubChem Substance ID32885
EC Number229-843-4
MDL NumberMFCD00000565
Reaxys-RN2040954
Beilstein Registry Number5(4)943
Alfabeta NameCHLOROXYLENE O2---
Chemical Name Translation2,6-二甲基氯苯
InChIKeyVDXLAYAQGYCQEO-UHFFFAOYSA-N
LabNetwork Molecule IDLN00115922
InChIInChI=1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
Canonical SMILESCC1=C(Cl)C(C)=CC=C1
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分类

  • {SNA} Aryl, Building Blocks, C8, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • Aryl, Building Blocks, C8, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks

相关文献及参考

  • Beil. 5 ,II,291
  • Aldrich MSDS 1 , 466:B / Corp MSDS 1 (1), 870:A / FT-NMR 1 (2), 98:B / RegBook 1 (1), 1185:E / Structure Index 1 , 181:A:7 / Vapor Phase 3 , 925:A
  • 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/38B Titl

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xn Xi Xi,Xn
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
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • 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。
  • 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+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+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。
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning {} {} {} {} {} {} {} {TCI}
Risk Statements
  • R20/21 Harmful by inhalation and in contact with skin 吸入及与皮肤接触有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • 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；
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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 Wear suitable gloves 戴适当手套；
Warnings IRRITANT
UN Number 1993
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

  • Alfa Aesar:2-氯间二甲苯,98% 2-Chloro-m-xylene, 98%(6781-98-2)
  • Acros Organics:2-氯间二甲苯 2-Chloro-m-xylene, 99%(6781-98-2)
  • MOL 文件:6781-98-2.mol
  • 2-氯-1,3-二甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C2164 2-氯间二甲苯 2-Chloro-m-xylene 25G 658元 2010/06/21 294070500 2-氯-1,3-二甲苯 2-Chloro-m-xylene 99% 50 GR 1196元 2010/05/25 A17867 2-氯间二甲苯, 98% 2-Chloro-m-xylene, 98% 25g 671元
  • MSDS 信息:2-Chloro-1,3-dimethylbenzene(6781-98-2).msds
  • Hazard Note:Irritant
  • Sigma Aldrich:6781-98-2(sigmaaldrich)
  • TCI Shanghai:2-氯间二甲苯 2-Chloro-m-xylene,>;98.0%(GC)(6781-98-2)
  • 图谱信息:2-氯-1,3-二甲苯(6781-98-2)红外图谱(IR1) 2-氯-1,3-二甲苯(6781-98-2)核磁图( 1 HNMR) 2-氯-1,3-二甲苯(6781-98-2)核磁图( 13 CNMR) 2-氯-1,3-二甲苯(6781-98-2)质谱(MS)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  6. C8 - Aryl

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