CAS No.6338-45-0,1,4-DIMETHYLIMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6338-45-0
Name:	1,4-DIMETHYLIMIDAZOLE
Article Data:	2

Formula:	C₅H₈N₂
Molecular Weight:	96.1319
Synonyms:	Imidazole,1,4-dimethyl- (8CI);1,4-Dimethyl-1H-imidazole;1,4-Dimethylimidazole;N,4-Dimethylimidazole;NSC 40745;
Density:	0.98 g/cm³
Melting Point:	25.8°C
Boiling Point:	216.7 °C at 760 mmHg
Flash Point:	84.8 °C
PSA:	17.82000
LogP:	0.72850

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Specification

The CAS register number of 1H-Imidazole,1,4-dimethyl- is 6338-45-0. It also can be called as 1,4-Dimethyl-1H-imidazole and the IUPAC name about this chemical is 1,4-dimethylimidazole. The molecular formula about this chemical is C₅H₈N₂ and the molecular weight is 96.13042.

Physical properties about 1H-Imidazole,1,4-dimethyl- are: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): -1.64; (3)ACD/LogD (pH 7.4): -0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 14.36; (8)#H bond acceptors: 2; (9)Polar Surface Area: 17.82 Å²; (10)Index of Refraction: 1.518; (11)Molar Refractivity: 29.67 cm³; (12)Molar Volume: 97.7 cm³; (13)Polarizability: 11.76x10^-24cm³; (14)Surface Tension: 31.3 dyne/cm; (15)Density: 0.98 g/cm³; (16)Flash Point: 84.8 °C; (17)Enthalpy of Vaporization: 43.46 kJ/mol; (18)Boiling Point: 216.7 °C at 760 mmHg; (19)Vapour Pressure: 0.203 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cn(c1)C)C
(2)InChI: InChI=1/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3
(3)InChIKey: BLHTXORQJNCSII-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3
(5)Std. InChIKey: BLHTXORQJNCSII-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	250mg/kg (250mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Veterinary and Human Toxicology. Vol. 41, Pg. 363, 1999.