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1H-Imidazole-4-methanol,2-butyl-5-chloro- (79047-41-9)

Identification
Name:1H-Imidazole-4-methanol,2-butyl-5-chloro-
Synonyms:2-Butyl-4-chloro-5-(hydroxymethyl)imidazole;2-Butyl-5-chloro-1H-imidazole-4-methanol;2-n-Butyl-4-chloro-5-(hydroxymethyl)imidazole;5-Chloro-2-butyl-imidazole-4-methanol;
CAS:79047-41-9
Molecular Formula: C8H13ClN2O
Molecular Weight: 188.65
InChI: InChI=1/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)
Molecular Structure: (C8H13ClN2O) 2-Butyl-4-chloro-5-(hydroxymethyl)imidazole;2-Butyl-5-chloro-1H-imidazole-4-methanol;2-n-Butyl-4-chl...
Properties
Flash Point: 407.7 oC at 760 mmHg
Boiling Point: 407.7 oC at 760 mmHg
Density:1.236g/cm3
Refractive index:1.554
Appearance:white crystalline solid
Specification:

The 1H-Imidazole-4-methanol,2-butyl-5-chloro-, with the CAS registry number 79047-41-9, has the systematic name of (2-butyl-4-chloro-1H-imidazol-5-yl)methanol. For being a kind of white crystalline solid, its product categories are including Heterocyclic Compounds; Heterocycles; Halogenated Heterocycles; Heterocyclic Building Blocks; Imidazoles; ImidazolesBuilding Blocks. 

The physical properties of this chemical are as follows: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.29; (6)ACD/BCF (pH 7.4): 6.97; (7)ACD/KOC (pH 5.5): 125.92 ; (8)ACD/KOC (pH 7.4): 139.7; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.05 ; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 48.93 cm3; (15)Molar Volume: 152.5 cm3; (16)Polarizability: 19.4×10-24 cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.236 g/cm3; (19)Flash Point: 200.4 °C; (20)Enthalpy of Vaporization: 69.55 kJ/mol; (21)Boiling Point: 407.7 °C at 760 mmHg; (22)Vapour Pressure: 2.23E-07 mmHg at 25°C.

When you are dealing with this chemical, you should be much more cautious. For being among the  irritant chemicals, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:Clc1nc(nc1CO)CCCC
(2)InChI:InChI=1/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)
(3)InChIKey:DXSZKDOOHOBZMT-UHFFFAOYAN

Flash Point: 407.7 oC at 760 mmHg
Safety Data
Hazard Symbols Xi:Irritant
 

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