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4-Fluoroindole

4-Fluoroindole structure

CAS No:
387-43-9
Formula:
C8H6FN
Chemical Name:
4-Fluoroindole
Synonyms:
4-FLUOROINDOLE;4-Fluoroindole98%;4-Fluoroindole,96%;4-FLUORO-1H-INDOLE;4-Fluoroindole,97%;4-FLUOROINDOLE(4FI);1H-Indole,4-fluoro-;4-FLUORO-2-METHYLINDOLE
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Beige low melting solid

4-Fluoroindole Basic Attributes

Molecular Weight：

135.141

Exact Mass：

135.048431

DSSTox ID：

DTXSID00379061

HScode：

2933990090

Characteristics

PSA：

15.8

XLogP3：

2.8

Density：

1.3±0.1 g/cm3

Melting Point：

30-32ºC

Boiling Point：

258°C at 760 mmHg

Flash Point：

109.9±19.8 °C

Refractive Index：

1.646

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Fluoroindole Use and Manufacturing

Methods of Manufacturing

Raney Nickel (500 mg) was added to a suspension of l-[2-(2-fluoro-6-nitro- phenyl)vinyl]pyrrolidine (6 g, 25.42 mmol) in methanol (50 mL) and hydrogenated under atmospheric pressure at ambient temperature for 20 h. The mixture was filtered through a pad of Celite and the filtrate was concentrated in vacuo to afford 4-fluoro-lH- indole (2.05 g, 60percent) as a brown liquid.

Uses

Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators 1 Reactant for preparation of antifungal agents 2 Reactant for preparation of Sodium-Dependent Glucose Co-transporter 2 (SGLT2) Inhibitors for the Management of Hyperglycemia in Diabetes 3 Reactant for preparation of Potent Selective Serotonin Reuptake Inhibitors 4 Reactant for preparation of Inhibitors of HIV-1 attachment 5 Reactant for preparation of monoamine reuptake inhibitors 6 Reactant for preparation of histone deacetylase (HDAC) inhibitors 7 Reactant for preparation of inhibitors of proliferation of human breast cancer cells.

Computed Properties

Molecular Weight:135.14
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:135.048427358
Monoisotopic Mass:135.048427358
Topological Polar Surface Area:15.8
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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