2-(Chloromethyl)pyridine Hydrochloride 2-氯甲基吡啶盐酸盐

CAS 6959-47-3 MFCD00012811

化学结构图

6959-47-3
SMILES: Cl.ClCC1CCCCN1

化学属性

Mol. FormulaC6H6ClN.HCl
Mol. Weight164
Density0.944
Melting Point120-124
TSCANo
Stability易吸潮
Appearance D 1.5365,很不稳定。 本品为无色固体,m.p.125~126℃,不溶于水,溶于四氯化碳、氯仿。2-氯甲基吡啶(CAS[4377-33-1])为液体,b.p.73~76℃/1.34 kpa,n 20
Solubility>=10 g/100 mL at 22 °C

别名和识别编码

Chemical Name2-(Chloromethyl)pyridine Hydrochloride
CAS Number6959-47-3
Alfabeta NameCHLOROMETHYLPYRIDINEHYDROCHLORIDE 2()-
MDL NumberMFCD00012811
EC Number230-149-9
Beilstein Registry Number3689155
Synonym 2-(Chloromethyl)Pyridine Hydrochloride 98% 2-(Chloromethyl)PyridineHydrochloride98% 2-(Chloromethyl)pyridine hydrochloride ,97% 2-(Chloromethyl)pyridine·hydrochloric acid 2-(Chloromethyl)pyridinium chloride 2-Chloromethylpyridine hydrochloride salt 2-PICOLYL CHLORIDE HCL 2-PICOLYL CHLORIDE HYDROCHLORIDE 2-PICOLYLCHLORIDE 2-CHLOROMETHYL PYRIDINE 2-Picolyl chloride HCl (65% in water) 2-Picolyl chloride hydrochloride 2-chloromethyl-pyridinhydrochloride 2-氯吡啶盐酸盐 2-氯甲基吡啶 盐酸盐 2-氯甲基吡啶盐酸盐 PCHC picolylchloridehydrochloride {} {} {} {} {Chemicalbook} 盐酸2-(氯甲基)吡啶 邻氯甲基吡啶盐酸盐
PubChem Substance ID23392
Chemical Name Translation2-氯甲基吡啶盐酸盐
Reaxys-RN3689155
Wiswesser Line NotationT6NJ B1G &GH
LabNetwork Molecule IDLN00008595
InChIInChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {SNA} Building Blocks, C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines

相关文献及参考

  • Beilstein: 20,V,5,498
  • For a study of the base-catalyzed alkylation of p-t-butylcalix[5]arene, see: J. Org. Chem., 61, 2407 (1996).
  • The free base has also been used for the protection of OH groups as 2-picolyl derivatives, relatively stable to acid (HF, TFA) but selectively cleaved by electrolytic reduction: Acta Chem. Scand. B, B37, 475 (1983); J. Chem. Res. (Synop.), 22 (1977).
  • The free base, generated from the hydrochloride with aqueous OH-, can be metallated (LDA, -78o) at the methylene group. Subsequent reaction with a ketone provides a route to otherwise inaccessible pyridyloxiranes: Tetrahedron Lett., 35, 3175 (1994). Similarly, reaction of the lithio derivative with an imine gives a pyridylaziridine, generally in good yield: J. Org. Chem., 60, 2279 (1995).

安全信息

Warnings HYGROSCOPIC, CORROSIVE
Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触;
  • 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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R4 Forms very sensitive explosive metallic compounds 生成非常敏感的易爆炸金属化合物
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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+P330+P331
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSUS6825000
Packing GroupIII
UN Number 3261
Storage condition Store at RT. 易吸潮,密封保存。储存温度: 2-8°C Hygroscopic
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes 8 C
Hazard Class8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 316 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to
   the National Cancer Institute by Litton Bionetics, Inc.  (Bethesda, MD)
   Volume(issue)/page/year: NCI-E-C-72-3252,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 316 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to
   the National Cancer Institute by Litton Bionetics, Inc.  (Bethesda, MD)
   Volume(issue)/page/year: NCI-E-C-72-3252,1973

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 95250 nmol/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   19,98,1992

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   NTPTB* NTP Technical Bulletin.  (National Toxicology Program, Landow Bldg.
   3A-06, 7910 Woodmont Ave., Bethesda, MD 20205)  Volume(issue)/page/year:
   APR1982

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 2 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 341,161,1995

其他信息

  • MSDS 信息:2-(Chloromethyl)pyridine hydrochloride(6959-47-3).msds
  • F:3-10
  • 2-氯甲基吡啶盐酸盐价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 172120050 2-氯甲基吡啶盐酸盐 2-Picolyl chloride hydrochloride 98% 5 GR 317元 2010/06/21 172120250 2-氯甲基吡啶盐酸盐 2-Picolyl chloride hydrochloride 98% 25 GR 1001元 2010/06/21 172121000 2-氯甲基吡啶盐酸盐 2-Picolyl chloride hydrochloride 98% 100 GR 2685元
  • 用途二:2-氯甲基吡啶是植物生长调节剂吡啶醇的中间体,也是医药扑尔敏的中间体。
  • Acros Organics:2-(氯甲基)吡啶盐酸盐 2-Picolyl chloride hydrochloride, 98%(6959-47-3)
  • MOL 文件:6959-47-3.mol
  • 下游产品:二甲基吡啶胺
  • 上游原料:碳酸钠 --> 2-甲基吡啶
  • 检测方法:T,NMR
  • 图谱信息:2-氯甲基吡啶盐酸盐(6959-47-3)红外图谱(IR1) 2-氯甲基吡啶盐酸盐(6959-47-3)红外图谱(IR2) 2-氯甲基吡啶盐酸盐(6959-47-3)质谱(MS) 2-氯甲基吡啶盐酸盐(6959-47-3)核磁图( 13 CNMR)
  • TCI Shanghai:2-(氯甲基)吡啶盐酸盐 2-(Chloromethyl)pyridine Hydrochloride,>;98.0%(T)(6959-47-3)
  • 水中溶解度:≥10 g/100 mL
  • 敏感性:Hygroscopic
  • Sigma Aldrich:6959-47-3(sigmaaldrich)
  • 用途一:用作医药中间体
  • Alfa Aesar:2-氯甲基吡啶盐酸盐,98% 2-(Chloromethyl)pyridine hydrochloride, 98%(6959-47-3)
  • Hazard Note:Corrosive
  • 方法一:其制备方法是将2-甲基吡啶及四氯化碳混合后,加入无水碳酸钠,加热,当升温至58~60℃时,在光照射下开始通氯气,温度保持在60~65℃,由气相色谱控制反应终点,经脱溶再蒸馏,与盐酸成盐得到产品。

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