1H-Imidazole, 2-undecyl-

2-UNDECYLIMIDAZOLE · Undecylimidazole · Einecs 240-796-9 · 2-N-UNDECYLIMIDAZOLE · 2-undecyl-1h-imidazol · 2-UNDECYL-1H-IMIDAZOLE · 1H-Imidazole, 2-undecyl- · 2-N-UNDECYLIMIDAZOLE 95+%

https://huagongshe.com/en/chemical/85582

1H-Imidazole, 2-undecyl- molecular structure

Identifiers & Physical Properties

CAS No.	16731-68-3
Molecular formula	C14H26N2
Average molar mass	222.37 g/mol
Monoisotopic mass	222.20959884 g/mol
SMILES	CCCCCCCCCCCc1ncc[nH]1
InChIKey	LLEASVZEQBICSN-UHFFFAOYSA-N
PubChem CID	85582
EC No.	240-796-9
DTXSID	DTXSID5066114

Chemical & Physical Properties

XLogP	5.6
Topological polar surface area	28.7
Hydrogen bond donors	1
Hydrogen bond acceptors	1
Rotatable bonds	10
Heavy atoms	16
Formal charge	0
Complexity	148
Melting point	69-74 °C (dec.)(lit.)
Boiling point	215 °C20 mm Hg(lit.)
Density	0.9700 (rough estimate)
Refractive index	1.4750 (estimate)
Solubility	soluble in Methanol
Physical state	powder to crystal
pKa (acidity coefficient)	14.40±0.10(Predicted)
Color	White to Almost white
InChI	InChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)
InChIKey	LLEASVZEQBICSN-UHFFFAOYSA-N
SMILES	C1(CCCCCCCCCCC)NC=CN=1
CAS DataBase Reference	16731-68-3(CAS DataBase Reference)
EPA Substance Registry System	1H-Imidazole, 2-undecyl- (16731-68-3)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319
GHS precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard symbols	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-36
Water hazard class (WGK)	3
TSCA inventory status	TSCA listed
Customs code	2933.29.9000

Safety & Regulations

GHS classification	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (98.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 80 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatory information	Chemical: 1H-Imidazole, 2-undecyl-1H-Imidazole, 2-undecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (98.8%)
Water hazard class (WGK)	3
TSCA inventory status	TSCA listed
Customs code	2933.29.9000
Risk statements (R)	36/37/38
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xi
Safety statements (S)	26-36
GHS hazard statements	H315-H319

Applications & Uses

Uses

2-n-undecylimidazole is an important organic compound that can be used as a catalyst for the synthesis of high thermal conductive composite membranes.