4-Fluoro-2-benzothiazolecarboxylic acid supplier

Name
2-Benzothiazolecarboxylicacid,4-fluoro-(9CI)
EINECS
CAS No. 479028-70-1
Density 1.603 g/cm³
Solubility
Melting Point
Formula C₈H₄FNO₂S
Boiling Point 382.463 °C at 760 mmHg
Molecular Weight 197.19
Flash Point 185.107 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Benzothiazolecarboxylicacid,4-fluoro-(9CI);4-Fluorobenzo[d]thiazole-2-carboxylic acid;
PSA 78.43000
LogP 2.13360

4-Fluoro-2-benzothiazolecarboxylic acid Specification

The systematic name of 4-Fluoro-2-benzothiazolecarboxylic acid is 4-fluoro-1,3-benzothiazole-2-carboxylic acid. With the CAS registry number 479028-70-1, it is also named as 2-Benzothiazolecarboxylicacid,4-fluoro-(9CI). The product's category is benzothiazole. In addition, its molecular formula is C₈H₄FNO₂S and its molecular weight is 197.19.

The other characteristics of 4-Fluoro-2-benzothiazolecarboxylic acid can be summarized as: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 3; (8)H bond donors: 1; (9)Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.43 Å²; (11)Index of Refraction: 1.699; (12)Molar Refractivity: 47.495 cm³; (13)Molar Volume: 122.992 cm³; (14)Polarizability: 18.828×10^-24cm³; (15)Surface Tension: 71.517 dyne/cm; (16)Density: 1.603 g/cm³; (17)Flash Point: 185.107 °C; (18)Enthalpy of Vaporization: 66.546 kJ/mol; (19)Boiling Point: 382.463 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:c1cc(c2c(c1)sc(n2)C(=O)O)F
InChI:InChI=1/C8H4FNO2S/c9-4-2-1-3-5-6(4)10-7(13-5)8(11)12/h1-3H,(H,11,12)
InChIKey:KFFJBGWTRIOOEN-UHFFFAOYAI
Std. InChI:InChI=1S/C8H4FNO2S/c9-4-2-1-3-5-6(4)10-7(13-5)8(11)12/h1-3H,(H,11,12)
Std. InChIKey:KFFJBGWTRIOOEN-UHFFFAOYSA-N

Product Name

2-Benzothiazolecarboxylicacid,4-fluoro-(9CI)

4-Fluoro-2-benzothiazolecarboxylic acid Specification

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