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

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. C7 to C8 - Pyridines
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Vitamins - Nutrition Research
  4. Vitamin B - Vitamins
  5. Vitamin B3 - Vitamin B
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. M-R - Flavors and Fragrances
  1. C6
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Vitamins
  4. Vitamin B2
  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. Pyridines 吡啶

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