2-(4-Fluorophenyl)thiophene

CAS Number: 58861-48-6

Molecular Formula: C10H7FS

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About 2-(4-Fluorophenyl)thiophene

2-(4-Fluorophenyl)thiophene (CAS 58861-48-6) acts as a pivotal building block in the API intermediates market, primarily serving as the essential precursor for the synthesis of Canagliflozin, an SGLT2 inhibitor for type 2 diabetes management. As a premier bulk chemical supplier, we note that CDMOs are increasingly focu...

Synonyms

2-(4-fluorophenyl)thiophene
58861-48-6
2-(4-fluorophenyl)-thiophene
72TG563TMB
MFCD06802535

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2-(4-Fluorophenyl)thiophene Specifications

CAS Number

58861-48-6

Molecular Formula

C10H7FS

Molecular Weight

178.23 g/mol

IUPAC Name

2-(4-fluorophenyl)thiophene

Canonical SMILES

C1=CSC(=C1)C2=CC=C(C=C2)F

InChI Key

PURJRGMZIKXDMW-UHFFFAOYSA-N

InChI

InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H

PubChem CID

21894783

EINECS Number

611-756-1

MDL Number

MFCD06802535

HSN No

29309090

CAS Number

58861-48-6

Molecular Formula

C10H7FS

Molecular Weight

178.23 g/mol

IUPAC Name

2-(4-fluorophenyl)thiophene

Canonical SMILES

C1=CSC(=C1)C2=CC=C(C=C2)F

InChI Key

PURJRGMZIKXDMW-UHFFFAOYSA-N

InChI

InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H

PubChem CID

21894783

EINECS Number

611-756-1

MDL Number

MFCD06802535

HSN No

29309090

Molecular Weight

178.23 g/mol

Boiling Point

252.3 °C at 760 mmHg

Density

1.201 g/cm3

PSA

28.2 Å²

Average mass

178.23 g/mol

Monoisotopic mass

178.02524956 Da

Molar mass

178.23 g/mol

Vapour pressure

0 Pa at 25 °C

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 (100%) Skin Irrit. 2 (50%)

Pharmaceutical Intermediate

A key synthetic building block primarily utilized in the production of the SGLT2 inhibitor canagliflozin for the treatment of type 2 diabetes

Organic Synthesis Building Block

A fluorinated thiophene derivative employed in cross-coupling reactions to develop complex heterocyclic molecules with potential pharmacological properties

Chemical Research Reagent

A specialized material used in medicinal chemistry to study structure-activity relationships, particularly regarding the influence of fluorine on metabolic stability and lipophilicity.