1-丁基-3-甲基咪唑硫氰酸盐
1-butyl-3-methylimidazolium thiocyanate
- 分子式：C9H15N3S
- 分子量：197.3
- CAS编号：344790-87-0
- 纯度：99%
基本信息
| 产品名称： | 1-丁基-3-甲基咪唑硫氰酸盐 | ||
| 英文名称： | 1-butyl-3-methylimidazolium thiocyanate | ||
| CAS编号： | 344790-87-0 | 简 写： | BMImSCN |
| 分 子 式 ： | C9H15N3S | 分 子 量 ： | 197.3 |
| 纯 度： | 99% | 产品编号： | CP0092 |
物性数据
| 项目 | 数据 | 测试条件 | 备注 | 数据来源 |
| 表面张力 mN/m | 44.5 | 20℃ | H2O<50ppm | 2016论文 |
| 表面张力 mN/m | 44.3 | 25℃,101KPa | 液体, Ring tensiometer | ILThermo |
| 表面张力 mN/m | 44.3 | 25℃ | H2O<50ppm | 2016论文 |
| 表面张力 mN/m | 44.1 | 30℃ | H2O<50ppm | 2016论文 |
| 表面张力 mN/m | 43.9 | 35℃ | H2O<50ppm | 2016论文 |
| 表面张力 mN/m | 43.7 | 40℃ | H2O<50ppm | 2016论文 |
| 表面张力 mN/m | 43.5 | 45℃ | H2O<50ppm | 2016论文 |
| 表面张力 mN/m | 43.3 | 50℃ | H2O<50ppm | 2016论文 |
| 电导率 mS/cm | 18.62 | 60℃ | H2O<50ppm | 2016论文 |
| 电导率 mS/cm | 16.38 | 55℃ | H2O<50ppm | 2016论文 |
| 电导率 mS/cm | 14.78 | 50℃ | H2O<50ppm | 2016论文 |
| 电导率 mS/cm | 13.18 | 45℃ | H2O<50ppm | 2016论文 |
| 电导率 mS/cm | 11.24 | 40℃ | H2O<50ppm | 2016论文 |
| 电导率 mS/cm | 9.48 | 35℃ | H2O<50ppm | 2016论文 |
| 电导率 mS/cm | 8.24 | 30℃ | H2O<50ppm | 2016论文 |
| 电导率 mS/cm | 6.44 | 25℃ | H2O<50ppm | 2016论文 |
| 电导率 mS/cm | 6.4 | 25℃,101KPa | 液体, Alternating current cell with electrodes | ILThermo |
| 电化学窗口 V | 3 | 2014年整理 | ||
| 密度 g/mL | 1.0783 | 20℃ | H2O<50ppm | 2016论文 |
| 密度 g/mL | 1.0753 | 25℃ | H2O<50ppm | 2016论文 |
| 密度 g/mL | 1.0723 | 30℃ | H2O<50ppm | 2016论文 |
| 密度 g/mL | 1.07 | 25℃,101KPa | 液体, Vibrating tube method | ILThermo |
| 密度 g/mL | 1.0693 | 35℃ | H2O<50ppm | 2016论文 |
| 密度 g/mL | 1.0663 | 40℃ | H2O<50ppm | 2016论文 |
| 密度 g/mL | 1.0633 | 45℃ | H2O<50ppm | 2016论文 |
| 密度 g/mL | 1.0604 | 50℃ | H2O<50ppm | 2016论文 |
| 密度 g/mL | 1.0574 | 55℃ | H2O<50ppm | 2016论文 |
| 密度 g/mL | 1.0545 | 60℃ | H2O<50ppm | 2016论文 |
| 熔点 ℃ | <-20 | 2014年整理 | ||
| 粘度 cP | 51 | 25℃,101KPa | 液体, Cone and plate viscometry | ILThermo |
| 粘度 cP | 50.54 | 25℃ | H2O<50ppm | 2016论文 |
| 粘度 cP | 41.73 | 30℃ | H2O<50ppm | 2016论文 |
| 粘度 cP | 34.73 | 35℃ | H2O<50ppm | 2016论文 |
| 粘度 cP | 27.32 | 40℃ | H2O<50ppm | 2016论文 |
| 粘度 cP | 22.17 | 45℃ | H2O<50ppm | 2016论文 |
| 粘度 cP | 19.44 | 50℃ | H2O<50ppm | 2016论文 |
| 粘度 cP | 17.3 | 55℃ | H2O<50ppm | 2016论文 |
| 粘度 cP | 14.71 | 60℃ | H2O<50ppm | 2016论文 |
| 折光率 | 1.5395 | 25℃,101KPa | 液体, Standard Abbe refractometry | ILThermo |
参考谱图
1-丁基-3-甲基咪唑硫氰酸盐,BMImSCN,344790-87-0,1-butyl-3-methylimidazolium thiocyanate,NMR,H谱,CD2Cl2
Srour, Hassan; Green Chemistry, (2013), 15(5), 1341-1347, CAplus
1-丁基-3-甲基咪唑硫氰酸盐,BMImSCN,344790-87-0,1-butyl-3-methylimidazolium thiocyanate,NMR,C谱,CD2Cl2
Srour, Hassan; Green Chemistry, (2013), 15(5), 1341-1347, CAplus
1-丁基-3-甲基咪唑硫氰酸盐,BMImSCN,344790-87-0,1-butyl-3-methylimidazolium thiocyanate,ESI-MS
Srour, Hassan; Green Chemistry, (2013), 15(5), 1341-1347, CAplus
安全信息
| Code |
Hazard Statement |
Source |
| H412 |
Harmful to aquatic life with long lasting effects |
European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated |
| H335 |
May cause respiratory irritation |
European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated |
| H332 |
Harmful if inhaled |
European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated |
| H319 |
Causes serious eye irritation |
European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated |
| H315 |
Causes skin irritation |
European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated |
| H312 |
Harmful in contact with skin |
European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated |
| H302+H312+H332 |
Harmful if swallowed, in contact with skin or if inhaled |
Expert Curated |
| H302 |
Harmful if swallowed |
European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated |
| EUH032 |
Contact with acids liberates very toxic gas |
European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling according to CLP criteria, Expert Curated |
| AUH032 |
Contact with acids liberates very toxic gas |
Expert Curated |
Other Names and Identifiers
Canonical SMILES
N#C[S-].C1=C[N+](=CN1C)CCCC
InChI
InChI=1S/C8H15N2.CHNS/c1-3-4-5-10-7-6-9(2)8-10;2-1-3/h6-8H,3-5H2,1-2H3;3H/q+1;/p-1
InChI Key
SIXHYMZEOJSYQH-UHFFFAOYSA-M
6 Other Names for this Substance
- 1H-Imidazolium, 1-butyl-3-methyl-, thiocyanate (9CI)
- 1-Butyl-3-methyl-1H-imidazolium isothiocyanate
- 1-Butyl-3-methylimidazolium thiocyanate
- 1-Methyl-3-butylimidazolium thiocyanate
- BMIMSCN
- Butylmethylimidazolium thiocyanate
参考文献
Experimental Properties
Chemical
Density
- (1) Domanska, Urszula; Journal of Chemical & Engineering Data, (2009), 54(7), 2113-2119, CAplus
- (2) Domanska, Urszula; Journal of Chemical & Engineering Data, (2010), 55(9), 2994-3004, CAplus
- (3) Shiflett, Mark B.; Journal of Chemical & Engineering Data, (2006), 51(2), 483-495, CAplus
- (4) Vakili-Nezhaad, Gholamreza; Journal of Chemical Thermodynamics, (2012), 54, 148-154, CAplus
- (5) Palomar, J.; Separation and Purification Technology, (2019), 213, 578-586, CAplus
- (6) Marciniak, Andrzej; International Journal of Molecular Sciences, (2010), 11, 1973-1990, CAplus
- (7) Galan Sanchez, Lara; Journal of Chemical & Engineering Data, (2009), 54(10), 2803-2812, CAplus
Electrical
Flow and Diffusion
- (1) Santiago, R.; Separation and Purification Technology, (2018), 204, 38-48, CAplus
- (2) Palomar, J.; Separation and Purification Technology, (2019), 213, 578-586, CAplus
- (3) Vakili-Nezhaad, Gholamreza; Journal of Chemical Thermodynamics, (2012), 54, 148-154, CAplus
- (4) Santiago, R.; Separation and Purification Technology, (2018), 204, 38-48, CAplus
- (5) Palomar, J.; Separation and Purification Technology, (2019), 213, 578-586, CAplus
- (6) Domanska, Urszula; Journal of Chemical & Engineering Data, (2009), 54(7), 2113-2119, CAplus
- (7) Domanska, Urszula; Journal of Chemical & Engineering Data, (2010), 55(9), 2994-3004, CAplus
- (8) Jameson, Laramie P.; Journal of Natural Products, (2011), 74(3), 310-313, CAplus
Interface
Optical and Scattering
Thermal
- (1) Domanska, Urszula; Journal of Chemical & Engineering Data, (2009), 54(7), 2113-2119, CAplus
- (2) Gruzdev, M. S.; Russian Journal of General Chemistry, (2009), 79(8), 1720-1727, CAplus
- (3) Marciniak, Andrzej; International Journal of Molecular Sciences, (2010), 11, 1973-1990, CAplus
- (4) Vakili-Nezhaad, Gholamreza; Journal of Chemical Thermodynamics, (2012), 54, 148-154, CAplus
- (5) Leys, Jan; Journal of Chemical Physics, (2010), 133(3), 034503/1-034503/10, CAplus
Experimental Spectra
1H-NMR
- (1) Matthews, Richard P.; Physical Chemistry Chemical Physics, (2016), 18(12), 8608-8624, CAplus
- (2) Srour, Hassan; Green Chemistry, (2013), 15(5), 1341-1347, CAplus
- (3) Brooks, Nicholas J.; Chemical Science, (2017), 8(9), 6359-6374, CAplus
- (4) Zheng, Yong; Science China: Chemistry, (2012), 55(8), 1587-1597, CAplus
- (5) Siddiqui, I. R.; Arabian Journal of Chemistry, (2018), 11(2), 256-264, CAplus
- (6) Peng, Yanqing; Tetrahedron Letters, (2009), 50(29), 4286-4288, CAplus
- (7) Jork, C.; Journal of Chemical Thermodynamics, (2005), 37(6), 537-558, CAplus
- (8) Alammar, Tarek; ChemSusChem, (2011), 4(12), 1796-1804, CAplus
- (9) Ben Ghanem, Ouahid; Journal of Hazardous Materials, (2015), 297, 198-206, CAplus
- (10) Peng, Yanqing; Tetrahedron Letters, (2009), 50(29), 4286-4288, CAplus
- (11) Gruzdev, M. S.; Russian Journal of General Chemistry, (2009), 79(8), 1720-1727, CAplus
- (12) Jameson, Laramie P.; Journal of Natural Products, (2011), 74(3), 310-313, CAplus
13C-NMR
- (1) Matthews, Richard P.; Physical Chemistry Chemical Physics, (2016), 18(12), 8608-8624, CAplus
- (2) Srour, Hassan; Green Chemistry, (2013), 15(5), 1341-1347, CAplus
- (3) Brooks, Nicholas J.; Chemical Science, (2017), 8(9), 6359-6374, CAplus
- (4) Jork, C.; Journal of Chemical Thermodynamics, (2005), 37(6), 537-558, CAplus
- (5) Gruzdev, M. S.; Russian Journal of General Chemistry, (2009), 79(8), 1720-1727, CAplus
IR
- (1) Penalber, Chariz Y.; Physical Chemistry Chemical Physics, (2012), 14(15), 5122-5131, CAplus
- (2) Anaredy, Radhika S.; Langmuir, (2016), 32(20), 5147-5154, CAplus
- (3) Peng, Yanqing; Tetrahedron Letters, (2009), 50(29), 4286-4288, CAplus
- (4) Gruzdev, M. S.; Russian Journal of General Chemistry, (2009), 79(8), 1720-1727, CAplus
- (5) Anaredy, Radhika S.; Langmuir, (2016), 32(20), 5147-5154, CAplus
- (6) Jork, C.; Journal of Chemical Thermodynamics, (2005), 37(6), 537-558, CAplus
