1,3,3-Trimethyl-2-Methyleneindoline 1,3,3-三甲基-2-亚甲基吲哚啉

CAS 118-12-7 MFCD00005813

化学结构图

118-12-7
SMILES: CN1C(=C)C(C)(C)C2C=CC=CC1=2

化学属性

Mol. FormulaC12H15N
Mol. Weight173.26
Refractive index1.5760 to 1.5790
Boiling Point248°C at 760 mmHg
Density0.979
Flash Point63°C
TSCAYes
Melting Point-8 °C
Solubility可忽略
Appearance 油状液体。97%的工业品的沸点为248℃，相对密度0.979，折光率1.5780，闪点101℃。 liquid

别名和识别编码

Chemical Name1,3,3-Trimethyl-2-Methyleneindoline
Synonym 1,3,3-Trimethyl-2-methyleneindoline {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {} {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {} {} {} {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,3-Trimethyl-2-methyleneindoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,3-Trime
CAS Number118-12-7
PubChem Substance ID8351
EC Number204-235-1
Beilstein Registry Number131162
MDL NumberMFCD00005813
Reaxys-RN131162
Chemical Name Translation1,3,3-三甲基-2-亚甲基吲哚啉
InChIKeyZTUKGBOUHWYFGC-UHFFFAOYSA-N
Wiswesser Line NotationT56 BNY DHJ B1 CU1 D1 D1
LabNetwork Molecule IDLN00188096
InChIInChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3
Canonical SMILESC=C1N(C)C2=C(C=CC=C2)C1(C)C
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分类

  • Analytical Reagents, Analytical/Chromatography, Derivatization Reagents, Derivatization Reagents TLC, Fluorescent agents (general), TLC Reagents, TLC Reagents, D-F, TLC Reagents, S-Z, TLC Visualization Reagents (alphabetic sort)
  • {SNA} Building Blocks, C12, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • {SNA} Derivatization Reagents, Derivatization Reagents TLC, Fluorescent agents (general), TLC Reagents, TLC Reagents, D-F, TLC Reagents, S-Z, TLC Visualization Reagents (alphabetic sort), 分析/色谱, 分析试剂

产品应用

  • 染料中间体。

相关文献及参考

  • Reacts with salicylaldehydes to form N,O-spiroacetals, providing a means of protection. The group is cleaved by ozonolysis: Tetrahedron Lett., 41, 3915 (2000):
  • Beilstein: 20,V,7,141

安全信息

GHS Symbol
WGK Germany2
Hazard Codes 9
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNM1926500
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
UN Number 3082
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R38 Irritating to skin 刺激皮肤
  • R50/53
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；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S37 Wear suitable gloves 戴适当手套；
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Packing GroupIII
Hazard Class9 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 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#07782

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

  • 用途一:用作阳离子染料中间体
  • 下游产品:阳离子桃红FG --> 阳离子橙G
  • 上游原料:碳酸钠 --> 硫酸二甲酯 --> 对甲苯磺酸 --> 氨基苯 --> 2-丁酮 --> 焦亚硫酸钠 --> 苯肼 --> 吲哚 --> 酞酸二甲酯 --> 对甲苯磺酸甲酯 --> 苯肼硫酸盐
  • TCI Shanghai:1,3,3-三甲基-2-亚甲基吲哚啉 1,3,3-Trimethyl-2-methyleneindoline,>;95.0%(GC)(118-12-7)
  • MSDS 信息:1,3,3-Trimethyl-2-methyleneindoline(118-12-7).msds
  • Sigma Aldrich:118-12-7(sigmaaldrich)
  • F:23
  • 方法一:由苯肼与甲乙酮经缩合、闭环反应后，用甲苯磺酸甲酯进行甲基化，再用氨水中和而制得。将水、苯肼、硫酸投入反应锅，加热至80℃，滴加甲乙酮，加料温度控制在80-90℃。加毕，在90-100℃继续反应1.5h。冷至70℃，加入二甲苯，静置分去下层水，二甲苯层再用水洗一次。加入对甲苯磺酸甲酯，加热，在155-160℃反应3h，再在160-165℃反应3h，将反应物料在水中稀释，在70-90℃滴加20%氨水至pH值大于8。静置分层，将上层油层进行减压蒸馏，收集80℃（1.33-2.67kPa）以上馏分即为成品。收率约70%。
  • 海关编码:29339990
  • 几乎不溶于水。
  • 用途三:染料中间体。
  • Acros Organics:1,3,3-三甲基-2-亚甲基吲哚啉 1,3,3-Trimethyl-2-methyleneindoline, 98.50%(118-12-7)
  • 1,3,3-三甲基-2-亚甲基吲哚啉价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0879 1,3,3-三甲基-2-亚甲基吲哚啉 1,3,3-Trimethyl-2-methyleneindoline 500ML 1920元 2014/06/02 T0879 1,3,3-三甲基-2-亚甲基吲哚啉 1,3,3-Trimethyl-2-methyleneindoline 25ML 261元 2010/06/21 421942500 1,3,3-三甲基-2-亚甲基吲哚啉 1,3,3-Trimethyl-2-methyleneindoline 98.5% 250 GR 1196元
  • 用途二:该品可作染料中间体，用于制造阳离子金黄X-GL、阳离子桃红FG、阳离子艳红5-GN、阳离子红6B、阳离子大红3GL等。
  • Alfa Aesar:1,3,3-三甲基-2-亚甲基吲哚啉,95% 1,3,3-Trimethyl-2-methyleneindoline, 95%(118-12-7)
  • color:red
  • MOL 文件:118-12-7.mol
  • 图谱信息:1,3,3-三甲基-2-亚甲基吲哚啉(118-12-7)核磁图( 13 CNMR) 1,3,3-三甲基-2-亚甲基吲哚啉(118-12-7)质谱(MS) 1,3,3-三甲基-2-亚甲基吲哚啉(118-12-7)核磁图( 1 HNMR) 1,3,3-三甲基-2-亚甲基吲哚啉(118-12-7)红外图谱(IR1)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indazoles 吲唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indolines 吲哚啉
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Derivatization Reagents 衍生分析试剂
  4. Derivatization Reagents TLC - Derivatization Reagents
  5. TLC Reagents - Derivatization Reagents TLC
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Derivatization Reagents 衍生分析试剂
  4. Derivatization Reagents TLC - Derivatization Reagents
  5. Fluorescent agents (general) - Derivatization Reagents TLC
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  5. C12 - Indoles
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Sprays
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents TLC
  4. Chromogenic & Charring agents, (general)
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents TLC
  4. Sprays
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. TLC Visualization Reagents (alphabetic sort)
  4. TLC Reagents, A-C
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. TLC Visualization Reagents (alphabetic sort)
  4. TLC Reagents, N-R
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents TLC
  4. TLC Visualization Reagents (alphabetic sort)
  5. TLC Reagents, A-C
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents TLC
  4. TLC Visualization Reagents (alphabetic sort)
  5. TLC Reagents, N-R
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents TLC
  4. TLC Visualization Reagents (by application)
  5. Vitamins

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