-
Name
2-CHLORO-1-ETHOXYMETHYLIMIDAZOLE
- EINECS
- CAS No. 850429-55-9
- Density 1.22 g/cm3
- Solubility
- Melting Point
- Formula C6H9ClN2O
- Boiling Point 253.4 °C at 760 mmHg
- Molecular Weight 160.603
- Flash Point 107.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 2-Chloro-1-ethoxymethylimidazole;2-Chloro-1-(ethoxymethyl)-1H-imidazole;
- PSA 27.05000
- LogP 1.53050
1H-Imidazole,2-chloro-1-(ethoxymethyl)- Specification
The IUPAC name of 1H-Imidazole,2-chloro-1-(ethoxymethyl)- is 2-chloro-1-(ethoxymethyl)imidazole. With the CAS registry number 850429-55-9, it is also named as 2-Chloro-1-(ethoxymethyl)-1H-imidazole. The product's categories are Blocks; Imidazoles. In addition, its molecular formula is C6H9ClN2O and its molecular weight is 160.6.
The other characteristics of 1H-Imidazole,2-chloro-1-(ethoxymethyl)- can be summarized as: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.05; (6)ACD/BCF (pH 7.4): 7.13; (7)ACD/KOC (pH 5.5): 140.33; (8)ACD/KOC (pH 7.4): 141.94; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 40.45 cm3; (15)Molar Volume: 130.8 cm3; (16)Polarizability: 16.03×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 107.1 °C; (20)Enthalpy of Vaporization: 49.08 kJ/mol; (21)Boiling Point: 253.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0183 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1nccn1COCC
(2)InChI: InChI=1/C6H9ClN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
(3)InChIKey: DONYAQVHLUVENE-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H9ClN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
(5)Std. InChIKey: DONYAQVHLUVENE-UHFFFAOYSA-N
Related Products
- 1H-Imidazole
- 1H-Imidazole, 1-(2-nitrophenyl)-
- 1H-Imidazole, 1-(3-methylphenyl)-
- 1H-Imidazole, 1-[4-(trifluoromethyl)phenyl]-
- 1H-IMidazole, 1-ethyl-2-Methyl
- 1H-Imidazole, 1-octyl-
- 1H-IMIDAZOLE, 2,2′-(DITHIOBIS(METHYLENE))-BIS(1-METHYL-5-NITRO)-
- 1H-Imidazole, 2-cyclopropyl-1-methyl-
- 1H-Imidazole, 2-ethyl-5-methyl-
- 1H-Imidazole, 2-methyl-1-(1-methylethyl)-
- 850429-56-0
- 850429-57-1
- 850429-58-2
- 850429-59-3
- 850429-60-6
- 850429-61-7
- 850429-62-8
- 850429-63-9
- 850429-64-0
- 850429-65-1
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View