CAS No.4303-67-7,1-DODECYLIMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4303-67-7
Name:	1-DODECYLIMIDAZOLE
Article Data:	69

Formula:	C₁₅H₂₈N₂
Molecular Weight:	236.401
Synonyms:	42935-06-8;1-Dodecylimidazole;1-Dodecyl-1H-imidazole;N-Dodecylimidazole;1-Laurylimidazole;N-Laurylimidazole;1H-Imidazole, 1-dodecyl-;5-23-04-00264 (Beilstein Handbook Reference);
EINECS:	224-314-4
Density:	0.9 g/cm³
Melting Point:	69.5-70.5 °C(Solv: ethyl acetate (141-78-6))
Boiling Point:	364.2 °C at 760 mmHg
Flash Point:	174.1 °C
Appearance:	Clourless liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	17.82000
LogP:	4.80400

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Specification

The CAS register number of Imidazole, 1-dodecyl- is 4303-67-7. It also can be called as 1-Dodecyl-1H-imidazole and the IUPAC name about this chemical is 1-dodecylimidazole. The molecular formula about this chemical is C₁₅H₂₈N₂ and the molecular weight is 236.4. It belongs to the following product categories which include Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Imidazoles & Benzimidazoles; Miscellaneous Reagents; Imidazoles & Benzimidazoles and so on.

Physical properties about Imidazole, 1-dodecyl- are: (1)ACD/LogP: 5.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 5.47; (5)ACD/BCF (pH 5.5): 322.63; (6)ACD/BCF (pH 7.4): 7636.63; (7)ACD/KOC (pH 5.5): 791.49; (8)ACD/KOC (pH 7.4): 18734.48; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 17.82 Å²; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 75.95 cm³; (14)Molar Volume: 260.2 cm³; (15)Polarizability: 30.1x10^-24cm³; (16)Surface Tension: 33.2 dyne/cm; (17)Density: 0.9 g/cm³; (18)Flash Point: 174.1 °C; (19)Enthalpy of Vaporization: 58.64 kJ/mol; (20)Boiling Point: 364.2 °C at 760 mmHg; (21)Vapour Pressure: 3.58E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1H-imidazole and 1-chloro-dodecane. This reaction will need reagent of bromure de tetraethylammonium, 18 M NaOH and solvent of benzene. This reaction needs heating. The reaction time is 72 hours. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccn(c1)CCCCCCCCCCCC
(2)InChI: InChI=1/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17/h12,14-15H,2-11,13H2,1H3
(3)InChIKey: JMTFLSQHQSFNTE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-16-15-17/h12,14-15H,2-11,13H2,1H3
(5)Std. InChIKey: JMTFLSQHQSFNTE-UHFFFAOYSA-N