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6-Fluoroindole-2-carboxylicacid

6-Fluoroindole-2-carboxylicacid structure

CAS No:
3093-97-8
Formula:
C9H6FNO2
Chemical Name:
6-Fluoroindole-2-carboxylicacid
Synonyms:
AKOSJY2083056;6-Fluoro-2-carboxyindole;2-Carboxy-6-fluoro-1H-indole;6-FLUOROINDOLE-2-CARBOXYLICACID;1H-6-FLUOROINDOLE-2-CARBOXYLICACID;6-FLUORO-1H-INDOLE-2-CARBOXYLICACID
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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6-Fluoroindole-2-carboxylicacid Basic Attributes

Molecular Weight：

179.15

Exact Mass：

179.038254

DSSTox ID：

DTXSID50401780

HScode：

2933990090

Characteristics

PSA：

53.1

XLogP3：

2.4

Density：

1.5±0.1 g/cm3

Melting Point：

246 °C (decomp)

Boiling Point：

422.2°C at 760 mmHg

Flash Point：

209.1±23.2 °C

Refractive Index：

1.692

Safety Information

hazard class code：

R10

safety instructions：

7/8-26-36-43

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Fluoroindole-2-carboxylicacid Use and Manufacturing

General procedure: A mixture of compound 3a (33.5 g, 0.15 mol), 4percent NaOH solution (335 mL) and ethanol (335 mL) was heated to reflux for 3 h. Upon cooling to room temperature, the mixture was poured into ice-water, adjusted to pH 5 with glacial acetic acid, and then the precipitate was collected by filtration. 4a was obtained as a white solid (26.4 g, 90percent).

Computed Properties

Molecular Weight:179.15
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:179.03825660
Monoisotopic Mass:179.03825660
Topological Polar Surface Area:53.1
Heavy Atom Count:13
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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6-Fluoroindole-2-carboxylic acid

CAS No.: 3093-97-8

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Guide of 6-Fluoroindole-2-carboxylicacid

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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6-Fluoroindole-2-carboxylicacid

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