Methyl Nicotinate 烟酸甲酯

CAS 93-60-7 MFCD00006388

化学结构图

93-60-7
SMILES: COC(=O)c1cccnc1

化学属性

Mol. FormulaC7H7NO2
Mol. Weight137.14
Boiling Point204°C at 760 mmHg
Melting Point39-42°C
Flash Point96°C
TSCAYes
Density1.422
Solubility可忽略
Appearance 类白色粉状,熔点 38-43°C,沸点 209°C,闪点 95°C,水溶性 NEGLIGIBLE

别名和识别编码

Chemical NameMethyl Nicotinate
CAS Number93-60-7
Alfabeta NameMETHYLNICOTINATE
MDL NumberMFCD00006388
Synonym Methyl nicotinate {LY} Methyl nicotinate {} {LY} Methyl nicotinate {} {} {LY} Methyl nicotinate {} {} {} {LY} Methyl nicotinate {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl nicotinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7151
EC Number202-261-8
Beilstein Registry Number113951
Reaxys-RN113951
Merck Number6100
Chemical Name Translation烟酸甲酯
Wiswesser Line NotationT6NJ CVO1
LabNetwork Molecule IDLN00173338
InChIInChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
Canonical SMILESO=C(C1=CC=CN=C1)OC
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分类

  • {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Nutrition Research, Pyridines, Vitamin B,
  • Building Blocks, C7 to C8,
  • {SNA} Alcoholic & Nonalcoholic Beverages, Analytical Standards, Beer, Brandy & Cognac, Coffee,

相关文献及参考

  • Merck 14 ,6100
  • Beil. 22 ,V,2,59
  • Arctander , 2126 / Corp MSDS 1 (2), 2387:A / FT-IR 2 (3), 3796:D / FT-IR 1 (2), 793:D / FT-NMR 1 (3), 330:B / Fenaroli , 530 / IR-Spectra (2), 1169:H / IR-Spectra (3), 1343:F / NMR-Reference 2 (2), 672:A / RegBook 26 (2), 2545:F / RegBook 1 (2), 2545:F / Sax 6 , 1999 / Sigma FT-IR 1 (2), 774:A / Structure Index 1 , 402:E:2 / Vapor Phase 3 , 1546:A
  • Short: II/2 Title: Magnetic Properties of Coordination and Organometallic Transition Metal Compounds Author: König, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/2 Year: 1966 ISBN: 3-540-03593-1 ISBN: 978-3-540-03593-0 Internet Resource: DOI:10.1007/b19948 RefComment: 170 figs., XII, 578 pages. Hardcover Abstract: The data compiled refer to susceptibility measurements (susceptibility, Curie-constants, magnetic moments, transition temperatures) and ESR-measurements (g-factors and other parameters of the applied spin Hamiltonian). In volume II/2 the literature from 1899 up to 1964 has been considered. Volume II/8 supplements volume II/2, taking into account the data on magnetic susceptibilities and ESR parameters published in the p eriod 1964 to 1968. The following subvolumes II/10,II/11, II/12 supplement data up to 1974.
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 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 volumes cover data for more than 8,000 substances in the s

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard Codes Xi
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 dust mask type N95 (US), Eyeshields, Gloves
RTECSQT1925000
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。
  • 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+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+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
Signal word Warning
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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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 {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 7,691,1955

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme
   Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948
    Volume(issue)/page/year: -,428,1948

其他信息

  • Sigma Aldrich:93-60-7(sigmaaldrich)
  • TCI Shanghai:烟酸甲酯 Nicotinic Acid Methyl Ester,>;98.0%(GC)(93-60-7)
  • 海关编码:29333999
  • Alfa Aesar:烟酸甲酯,99% Methyl nicotinate, 99%(93-60-7)
  • 烟酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0086 烟酸甲酯 Methyl Nicotinate 500G 898元 2014/06/02 N0086 烟酸甲酯 Methyl Nicotinate 25G 156元 2010/06/21 127211000 烟酸甲酯 Methyl nicotinate 99% 100 GR 270元
  • MSDS 信息:Methyl nicotinate(93-60-7).msds
  • Acros Organics:烟酸甲酯 Methyl nicotinate, 99%(93-60-7)
  • MOL 文件:93-60-7.mol
  • FEMA:3709
  • 下游产品:2-(3-吡啶基)-1,3,4-恶二唑 --> 尼可地尔 --> 3-吡啶甲酰肼 --> 烟酰乙酸甲酯
  • 图谱信息:烟酸甲酯(93-60-7)红外图谱(IR1) 烟酸甲酯(93-60-7)红外图谱(IR3) 烟酸甲酯(93-60-7)核磁图( 13 CNMR) 烟酸甲酯(93-60-7)红外图谱(IR2) 烟酸甲酯(93-60-7)质谱(MS) 烟酸甲酯(93-60-7)核磁图( 1 HNMR)
  • 检测方法:GC,NMR

系列性分类


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