2-Fluorobenzothiazole

The 2-Fluorobenzothiazole, with the CAS registry number 1123-98-4, is also known as Benzothiazole, 2-fluoro-. It belongs to the product categories of Benzothiazole; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Thiazoles. Its EINECS registry number is 214-384-4. Its IUPAC name and systematic name are the same which is called 2-fluoro-1,3-benzothiazole. This chemical is clear colorless to light yellow liquid.

Physical properties about this chemical are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 146.23; (6)ACD/BCF (pH 7.4): 146.24; (7)ACD/KOC (pH 5.5): 1234.07; (8)ACD/KOC (pH 7.4): 1234.12; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.655; (13)Molar Refractivity: 40.56 cm³; (14)Molar Volume: 110.4 cm³; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.386 g/cm³; (17)Flash Point: 103 °C; (18)Enthalpy of Vaporization: 46.43 kJ/mol; (19)Boiling Point: 246.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0418 mmHg at 25°C.

Preparation of 2-Fluorobenzothiazole: this chemical can be prepared by benzothiazol-2-ylamine. This reaction will need reagent HF-pyridine, NaNO₂. The reaction time is 20 mins with reaction temperature of 0 ℃. The yield is about 75%.



Uses of 2-Fluorobenzothiazole: it can be used to produce 2-methyl-benzothiazole at ambient temperature. This reaction will need solvent tetrahydrofuran with reaction time of 10 mins. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)F
(2)InChI: InChI=1S/C7H4FNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
(3)InChIKey: QVWCHVAUHZEAAT-UHFFFAOYSA-N