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2-Thiazolamine,4-(4-fluorophenyl)-

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Name

2-Thiazolamine,4-(4-fluorophenyl)-

EINECS N/A
CAS No. 77815-14-6 Density 1.349 g/cm3
PSA 67.15000 LogP 3.11260
Solubility N/A Melting Point 102-110°C
Formula C9H7FN2S Boiling Point 359.1 °C at 760 mmHg
Molecular Weight 194.232 Flash Point 171 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 77815-14-6 (4-(4-FLUOROPHENYL)-1,3-THIAZOL-2-AMINE) Hazard Symbols IrritantXi
Synonyms

2-Amino-4-(4-fluorophenyl)thiazole;4-(p-Fluorophenyl)-thiazol-2-amine;4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-Thiazolamine, 4-(4-fluorophenyl)-;2-Amino-4-(4-fluorophenyl)-1,3-thiazole;4-(4-fluorophenyl)-1,3-thiazole-2-ylamine;Thiazole, 2-amino-4-(4-fluorophenyl)-;

Article Data 66

2-Thiazolamine,4-(4-fluorophenyl)- Specification

The 2-Thiazolamine,4-(4-fluorophenyl)-, with the CAS registry number 77815-14-6, has the systematic name and IUPAC name of 4-(4-fluorophenyl)-1,3-thiazol-2-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H7FN2S.

The characteristics of 2-Thiazolamine,4-(4-fluorophenyl)- are as followings: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 16.88; (6)ACD/BCF (pH 7.4): 22; (7)ACD/KOC (pH 5.5): 243.86; (8)ACD/KOC (pH 7.4): 317.68; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 51.55 cm3; (15)Molar Volume: 143.9 cm3; (16)Polarizability: 20.43×10-24cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 171 °C; (20)Enthalpy of Vaporization: 60.47 kJ/mol; (21)Boiling Point: 359.1 °C at 760 mmHg; (22)Vapour Pressure: 2.43E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc2ccc(c1nc(sc1)N)cc2
(2)InChI: InChI=1/C9H7FN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
(3)InChIKey: WSOKJBHBMAGBIP-UHFFFAOYAF

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