Tolazoline hydrochloride

Reported in EPA TSCA Inventory.

The Benzazoline hydrochloride is an organic compound with the formula C₁₀H₁₂N₂^.HCl. The IUPAC name of this chemical is 2-benzyl-4,5-dihydro-1H-imidazole hydrochloride. With the CAS registry number 59-97-2, it is also named as (4-chlorophenyl)piperazine. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is a pale yellow crystalline solid, which should be stored in a closed place. It is used for biological research and medicine.

Physical properties about Benzazoline hydrochloride are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): -0.91; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.09; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 17.58; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 6.48 Å²; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 54.7 cm³; (14)Molar Volume: 169.6 cm³; (15)Polarizability: 21.68×10^-24cm³; (16)Surface Tension: 39.7 dyne/cm; (17)Density: 1.159 g/cm³; (18)Flash Point: 157.2 °C; (19)Enthalpy of Vaporization: 57.94 kJ/mol; (20)Boiling Point: 336.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000113 mmHg at 25°C.

Uses of Benzazoline hydrochloride: it can be used to produce (1H-imidazol-2-yl)-phenyl-methanone by heating. It will need reagent sodium acetate, KMnO₄ and solvent dioxane with reaction time of 24 hours. The yield is about 42%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. When you are using it, do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)N2CCNCC2
(2)InChI: InChI=1/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
(3)InChIKey: UNEIHNMKASENIG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
(5)Std. InChIKey: UNEIHNMKASENIG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TDLo	intravenous	150ug/kg (0.15mg/kg)	CARDIAC: CHANGE IN RATE VASCULAR: OTHER CHANGES SKIN AND APPENDAGES (SKIN): SWEATING: OTHER	Folia Medica Vol. 27, Pg. 729, 1941.
infant	TDLo	intravenous	48mg/kg/47H-C (48mg/kg)	GASTROINTESTINAL: ULCERATION OR BLEEDING FROM DUODENUM GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE	Australian Paediatric Journal. Vol. 22, Pg. 221, 1986.
mouse	LD50	intraperitoneal	130mg/kg (130mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 1992, 1971.
mouse	LD50	intravenous	56700ug/kg (56.7mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Pharmacobio-Dynamics. Vol. 9, Pg. 395, 1986.
mouse	LD50	oral	400mg/kg (400mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 1992, 1971.
rat	LD50	intraperitoneal	100mg/kg (100mg/kg)		Drugs in Japan Vol. 6, Pg. 511, 1982.
rat	LD50	intravenous	85mg/kg (85mg/kg)		Drugs in Japan Vol. 6, Pg. 511, 1982.
rat	LD50	oral	1200mg/kg (1200mg/kg)		Drugs in Japan Vol. 6, Pg. 511, 1982.