1H-Imidazole,5-(4-chlorophenyl)- supplier

Name
4-(4-CHLOROPHENYL)-1H-IMIDAZOLE
EINECS
CAS No. 35512-29-9
Article Data6
CAS DataBase
Density
Solubility
Melting Point 136-142 °C
Formula C₉H₇ClN₂
Boiling Point 404.7 °C at 760 mmHg
Molecular Weight 178.621
Flash Point 230.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Imidazole,4-(4-chlorophenyl)- (9CI);Imidazole, 4(or 5)-(p-chlorophenyl)- (7CI);4-(4-Chlorophenyl)imidazole;4-(p-Chlorophenyl)-1,3-imidazole;4-(p-Chlorophenyl)imidazole;5-(4-Chlorophenyl)-1H-imidazole;
PSA 28.68000
LogP 2.73010

1H-Imidazole,5-(4-chlorophenyl)- Specification

The 1H-Imidazole,5-(4-chlorophenyl)-, with the CAS registry number 35512-29-9, is also known as 4-(p-Chlorophenyl)imidazole. It belongs to the product category of Heterocyclic Compounds. This chemical's molecular formula is C₉H₇ClN₂ and molecular weight is 178.61828. What's more, its systematic name is 5-(4-Chlorophenyl)-1H-imidazole.

Physical properties about 1H-Imidazole,5-(4-chlorophenyl)-: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 6.67; (6)ACD/BCF (pH 7.4): 20.02; (7)ACD/KOC (pH 5.5): 98.26; (8)ACD/KOC (pH 7.4): 295.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 48.26 cm³; (15)Molar Volume: 138.2 cm³; (16)Surface Tension: 51.4 dyne/cm; (17)Density: 1.292 g/cm³; (18)Flash Point: 230.9 °C; (19)Enthalpy of Vaporization: 63.06 kJ/mol; (20)Boiling Point: 404.7 °C at 760 mmHg; (21)Vapour Pressure: 2.17E-06 mmHg at 25 °C; (22)Melting point: 136-142 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system. If swallowed, it’s harmful to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc(c1cncn1)cc2
(2) InChI: InChI=1/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
(3) InChIKey: DVKIFCXVRCGAEE-UHFFFAOYAT

Product Name

4-(4-CHLOROPHENYL)-1H-IMIDAZOLE

1H-Imidazole,5-(4-chlorophenyl)- Specification

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