Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

---

Identification

英文名	2-Propylimidazole
IUPAC Name	2-propyl-1H-imidazole
分子结构
CAS编号	50995-95-4
EINECS Number	256-902-1
MDL Number	MFCD00059158
Beilstein Registry Number	No data available
别名	2-propylimidazole2-n-propylimidazole2-propyl-1H-imidazole2-n-Propylimidazol2-propylimidazol
分子式	C6H10N2
分子量	110.15
InChI	InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)
InChI Key	MKBBSFGKFMQPPC-UHFFFAOYSA-N
Canonical SMILES	CCCc1[nH]ccn1

Patent Information
Patent ID	Title	Publication Date
WO2004/78754	5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS	2004
US4845234	Salts of 2-m-propylimidazole	1989

---

Physical Data

Appearance	Off-white to yellow crystal
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available

Melting Point, °C

43

62 – 63

Boiling Point, °C	Pressure (Boiling Point), Torr
152 – 154	15

Description (Association (MCS))	Solvent (Association (MCS))	Temperature (Association (MCS)), °C	Partner (Association (MCS))
Stability constant of the complex with …	H2O	24.9	Co(NO3)2
Stability constant of the complex with …	H2O	24.9	Cd(NO3)2
Stability constant of the complex with …	H2O	24.9	Ni(NO3)2
Stability constant of the complex with …	H2O	24.9	Cu(NO3)2
UV/VIS spectrum of the complex	H2O	24.9	Co(NO3)2

---

Spectra

Description (NMR Spectroscopy)	Nucleus (NMR Spectroscopy)	Solvents (NMR Spectroscopy)	Frequency (NMR Spectroscopy), MHz	Original Text (NMR Spectroscopy)
MAS (Magic-Angle Spinning), Spectrum	13C
Chemical shifts	1H	CDCl3	500
	1H	chloroform-d1	500	1H NMR (500 MHz, CDCl3) δ 11.50 (s, IH), 6.96 (s, 2H), 2.72 (t, J= 7.4 Hz, 2H), 1.77 (sext, J= 7.4 Hz, 2H), 0.98 (t, J= 7.4 Hz, 3H);
	13C	chloroform-d1	125	13C NMR (125 MHz, CDCl3) δ 149.1, 121.4, 30.7, 22.3, 14.0.

---

Route of Synthesis (ROS)

Conditions	Yield
With iodine; sodium carbonate In 1,4-dioxane; water at 20℃; for 24h;	98%
With iodine; sodium hydroxide In chloroform; water at 20℃; for 45h;	85%
With iodine; sodium hydrogencarbonate In 1,4-dioxane; water at 20℃;	72%
With iodine; sodium carbonate In 1,4-dioxane; water at 20℃;

---

Safety and Hazards

Pictogram(s)
Signal	Danger
GHS Hazard Statements	H302 (82.38%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (82.38%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (17.62%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (17.18%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement Codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

---

Other Data

Transportation	Under the room temperature and away from light
HS Code	No data available
Storage	2-Propylimidazole is supplied in 25Kg drum or the user’s appointed packages. It should be stored at room temperature in the original sealed container away from excessive heat and humidity. please avoid acid and oxidant.
Shelf Life	1 year
Market Price	USD

Druglikeness
Lipinski rules component
分子量	110.159
logP	1.02
HBA	2
HBD	1
Matching Lipinski Rules	4
Veber rules component
Polar Surface Area (PSA)	28.68
Rotatable Bond (RotB)	2
Matching Veber Rules	2

Use Pattern

Curing Agents for the epoxy resin

Intermediates for organic synthesis.

试剂采购
没有试剂厂商?	向凯望发送快速询价
想要被列为试剂厂商? (付费服务)	点击这里联系凯望

认证生产商
Warshel Chemical Ltd	http://www.warshel.com/
想要被列为认证生产商 (需要通过认证)?	请下载并填写 这份表格并发邮件到approved-manufacturers@chemwhat.com

其他供应商
Watson International Limited	访问Watson官网

如需其他帮助，请联系我们
联系我们获取其它信息或服务	点击这里联系凯望