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5-Fluoroindole

5-Fluoroindole structure

CAS No:
399-52-0
Formula:
C8H6FN
Chemical Name:
5-Fluoroindole
Synonyms:
1H-Indole,5-fluoro-;Indole,5-fluoro-;5-Fluoro-1H-indole;5-Fluoroindole;NSC 88613
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

off-white crystalline powder

5-fluoroindole is an organofluorine compound that is the 5-fluoro derivative of indole.

5-Fluoroindole Basic Attributes

Molecular Weight：

135.14

Exact Mass：

135.14

EC Number：

206-917-4

UNII：

ZL8W3FGT5K

NSC Number：

88613

DSSTox ID：

DTXSID10192940

HScode：

2933990090

Characteristics

PSA：

15.8

XLogP3：

2.4

Appearance：

off-white crystalline powder

Density：

1.3±0.1 g/cm3

Melting Point：

46 °C

Boiling Point：

258°C at 760 mmHg

Flash Point：

109.9±19.8 °C

Refractive Index：

1.646

Storage Conditions：

2-8ºC

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

Drug Information

MeSH Entry Terms：

5-fluoroindole

5-Fluoroindole Use and Manufacturing

• ;Reactant for preparation of 5-HT6 receptor ligands1• ;Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators2• ;Reactant for preparation of antitumor agents3• ;Reactant for preparation of antibacterial agents4• ;Reactant for preparation of immunosuppressive agents5• ;Reactant for preparation of Sodium-Dependent Glucose Co-transporter 2 (SGLT2) Inhibitors for the Management of Hyperglycemia in Diabetes6• ;Reactant for preparation of Myeloperoxidase Inhibitors7• ;Reactant fo

Computed Properties

Molecular Weight:135.14
XLogP3:2.4
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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