N-Butyl Nicotinate 烟酸正丁酯

CAS 6938-06-3 MFCD00006390

化学结构图

6938-06-3
SMILES: CCCCOC(=O)c1cccnc1

化学属性

Mol. FormulaC10H13NO2
Mol. Weight179.22
Density1.047 g/mL at 25 °C(lit.)
Refractive index1.4930 to 1.4970
Boiling Point252°C(lit.)
Flash Point113 °C

别名和识别编码

Chemical NameN-Butyl Nicotinate
Synonym 3-Pyridinecarboxylic acid, butyl ester N-BUTYL NICOTINATE NICOTINIC ACID BUTOXY ESTER Nicotinsäurebutylester NICOTINIC ACID N-BUTYL ESTER N-butyl nicotinate 烟酸正丁酯 Nicotinic acid butyl 3-pyridinecarboxylicacid,butylester n-Butylnicotinate,99% Nicotinic acid, butyl ester BUTYL NICOTINATE Ba 2674 Butyl nicotinate n-Butyl niconitate Butyl 3-pyridinecarboxylate Pyridine-3-carboxylic acid butyl ester pyridine-3-carboxylic acid butyl ester 烟酸丁酯 nicotinic acid butyl ester BUTYL 3-PYRIDINECARBOXYLATE NICOTINIC ACID BUTYL ESTER Butyl-3-pyridincarboxylat butyl nicotinate
MDL NumberMFCD00006390
CAS Number6938-06-3
EC Number230-064-7
Reaxys-RN132654
PubChem Substance ID81353
Chemical Name Translation烟酸正丁酯
Wiswesser Line NotationT6NJ CVO4
Beilstein Registry Number0132654
LabNetwork Molecule IDLN00223218
InChIInChI=1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment

相关文献及参考

  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
RTECSQT0875000
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
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。
  • 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。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
Hazard Codes Xi
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
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
GHS Symbol 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 63 mg/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: 4,46,1952

其他信息

  • MOL 文件:6938-06-3.mol
  • TCI Shanghai:烟酸正丁酯 Butyl Nicotinate,>;98.0%(GC)(6938-06-3)
  • 图谱信息:烟酸丁酯 (6938-06-3)质谱(MS)

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. Pyridines 吡啶

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