3-(Dimethylamino)propiophenone Hydrochloride 3-(二甲氨基)丙酚盐酸盐

CAS 879-72-1 MFCD00012481

化学结构图

879-72-1
SMILES: CN(C)CCC(=O)c1ccccc1.Cl

化学属性

Mol. FormulaC11H16ClNO
Mol. Weight213.70
Melting Point150-155 °C
TSCAYes
Appearance 白色晶体。熔点155-156℃。

别名和识别编码

Chemical Name3-(Dimethylamino)propiophenone Hydrochloride
Synonym 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {} {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {} {} {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {} {} {} {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {} {} {} {} {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {} {} {} {} {} {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride {} {} {} {} {} {} {} {} {} {} {}
CAS Number879-72-1
PubChem Substance ID87568829
EC Number212-909-1
Beilstein Registry Number14(2)38
MDL NumberMFCD00012481
Alfabeta NameDIMETHYLAMINOPROPIOPHENONEHYDROCHLORIDE 3-
Chemical Name Translation3-(二甲氨基)丙酚盐酸盐
Reaxys-RN3568398
Wiswesser Line Notation1N1&2VR &GH
InChIKeyDKNDBIIKSJWQFL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00183085
InChIInChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
Canonical SMILESO=C(C1=CC=CC=C1)CCN(C)C.Cl
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
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分类

  • Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Beil. 14 ,II,38
  • Corp MSDS 1 (1), 1343:A / FT-IR 2 (2), 2431:A / FT-IR 1 (2), 47:A / IR-Spectra (2), 766:C / IR-Spectra (3), 875:F / NMR-Reference 2 (2), 48:B / RegBook 1 (2), 1653:H / Sax 6 , 1125 / Structure Index 1 , 260:C:8
  • Mannich base equivalent to phenyl vinyl ketone in many reactions.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T
RTECSUH0600000
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。
  • P301+P310+P330
  • 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.....
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P405 Store locked up. 上锁保管。
  • P301+P310
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P302+P350
  • P337+P313
Signal word Danger
Safety Statements
  • 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）；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
Packing GroupIII
UN Number UN 2811 6.1/PG 3 UN2811 2811
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Warnings IRRITANT
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 70 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AITEAT Archivum Immunologiae et Therapiae Experimentalis. (Ars Polona, POB
   1001, 00-068 Warsaw 1, Poland)  V.10-    1962-  Volume(issue)/page/year:
   15,249,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AITEAT Archivum Immunologiae et Therapiae Experimentalis. (Ars Polona, POB
   1001, 00-068 Warsaw 1, Poland)  V.10-    1962-  Volume(issue)/page/year:
   15,249,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 223 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 24,833,1990

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FATOAO Farmakologiya i Toksikologiya (Moscow).  For English translation, see
   PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-   
   1939-  Volume(issue)/page/year: 25,437,1962

Storage condition Store at room temperature, keep dry and cool {LY} Store at room temperature, keep dry and cool {} {LY} Store at room temperature, keep dry and cool {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store

其他信息

  • Acros Organics:3-二甲胺基苯丙酮盐酸盐 3-Dimethylaminopropiophenone hydrochloride, 99%(879-72-1)
  • MOL 文件:879-72-1.mol
  • F:3
  • 用途一:用于有机合成。
  • 上游原料:丙酮 --> 多聚甲醛 --> 甲乙醇
  • 3-二甲胺基丙苯酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2400 3-(二甲氨基)苯丙酮盐酸盐 3-(Dimethylamino)propiophenone Hydrochloride 25G 396元 2014/06/02 D2400 3-(二甲氨基)苯丙酮盐酸盐 3-(Dimethylamino)propiophenone Hydrochloride 500G 4490元 2010/06/21 115891000 3-二甲胺基丙苯酮 3-Dimethylaminopropiophenone hydrochloride 99% 100 GR 921元
  • Sigma Aldrich:879-72-1(sigmaaldrich)
  • 图谱信息:3-二甲胺基丙苯酮(879-72-1)质谱(MS) 3-二甲胺基丙苯酮(879-72-1)核磁图( 13 CNMR) 3-二甲胺基丙苯酮(879-72-1)核磁图( 1 HNMR) 3-二甲胺基丙苯酮(879-72-1)红外图谱(IR2) 3-二甲胺基丙苯酮(879-72-1)红外图谱(IR1)
  • Alfa Aesar:3-二甲基氨基苯丙酮盐酸,99% 3-Dimethylaminopropiophenone hydrochloride, 99%(879-72-1)
  • 方法一:将苯乙酮、二甲胺盐酸盐、多聚甲醛、浓盐酸和乙醇配成的混合物加热，回流2h。用丙酮稀释反应物，冷却过夜，滤出粗品。粗品甲乙醇和丙酮重结晶，即得N,N-二甲基-2-苯甲酰乙胺盐酸盐。
  • TCI Shanghai:3-二甲氨基苯丙酮盐酸盐 3-(Dimethylamino)propiophenone Hydrochloride,>;98.0%(LC)(T)(879-72-1)

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. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C11 to C12 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  6. C10

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