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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate>Organic Intermediates
5-Fluoro-2-oxindole structure
5-Fluoro-2-oxindole structure

5-Fluoro-2-oxindole

Iupac Name:5-fluoro-1,3-dihydroindol-2-one
CAS No.: 56341-41-4
Molecular Weight:151.14
Modify Date.: 2022-11-22 16:36
Introduction:

Light Yellow Crystalline

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1. Names and Identifiers
1.1 Name
5-Fluoro-2-oxindole
1.2 Synonyms

2H-Indol-2-one, 5-fluoro-1,3-dihydro- 5-FLUORO-1,3-DIHYDRO-2H-INDOL-2-ONE 5-Fluoro-1,3-dihydro-indol-2-one 5-Fluoro-1,3-dihydroindol-2-one 5-Fluoro-2-indolinone 5-fluoro-2-oxo-1,2-dihydro-indole 5-FLUORO-2-OXYINDOLE 5-Fluoroindole-2-One 5-fluoroindolin-2-one 5-Fluorooxindole 5-FLUROOXINDOLE EINECS 446-540-4 Fluorooxindole MFCD02179598 T56 BMV DHJ GF

1.3 CAS No.
56341-41-4
1.4 CID
3731012
1.5 EINECS(EC#)
638-803-9
1.6 Molecular Formula
C8H6FNO (isomer)
1.7 Inchi
InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
1.8 InChkey
DDIIYGHHUMKDGI-UHFFFAOYSA-N
1.9 Canonical Smiles
C1C2=C(C=CC(=C2)F)NC1=O
1.10 Isomers Smiles
C1C2=C(C=CC(=C2)F)NC1=O
2. Properties
2.1 Density
1.311
2.1 Melting point
143-147℃
2.1 Boiling point
307.2 oC at 760 mmHg
2.1 Refractive index
1.56
2.1 Flash Point
139.6 oC
2.1 Precise Quality
151.04300
2.1 PSA
29.10000
2.1 logP
1.45830
2.1 Appearance
White to pale brown Powder or Crystalline Powder
2.2 Storage
Ambient temperatures.
2.3 Chemical Properties
Light Yellow Crystalline 5-Fluoro-2-oxindole Preparation Products And Raw materials Raw materials
2.4 Color/Form
White to pale brown
2.5 pKa
12.99±0.20(Predicted)
2.6 StorageTemp
Sealed in dry,Room Temperature
3. Safety and Handling
3.1 Hazard Codes
Xi; C
3.1 Risk Statements
R36/37/38
3.1 Safety Statements
S22;S24/25
3.1 Hazard Class
IRRITANT, KEEP COLD
3.1 Hazard Declaration
H301
3.1 RIDADR
NONH for all modes of transport
3.1 Caution Statement
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
3.1 WGK Germany
3
3.1 Safety

Safty informations of?5-Fluorooxindole (CAS NO.56341-41-4):
Hazard Codes:IrritantXiCorrosiveC
Risk Statements: 36/37/38-34?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R34:Causes burns.
Safety Statements: 22-24/25-45-36/37/39-27-26?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S27:Take off immediately all contaminated clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Hazard Note: Irritant/Keep Cold?
HazardClass: IRRITANT, KEEP COLD?

3.2 Specification

? 5-Fluorooxindole (CAS NO.56341-41-4), its Synonyms are 5-Fluoroindole-2-One ; 5-Fluoro-1,3-dihydro-indol-2-one ; 5-Fluorooxindole 98% . It is light yellow crystalline.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

8. Other Information
8.0 Chemical Properties
Light Yellow Crystalline
8.1 Uses
5-Fluoro-2-oxindole (cas# 56341-41-4) is a compound useful in organic synthesis.
9. Computational chemical data
  • Molecular Weight: 151.14g/mol
  • Molecular Formula: C8H6FNO
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 151.043341977
  • Monoisotopic Mass: 151.043341977
  • Complexity: 183
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 29.1
  • Heavy Atom Count: 11
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcYByIQAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHwAQAAAADAiBmAgwwILAAACIAiVSUACCAAAhAgAIiAEAZIgIIDLAlZGEIAhglADIyAcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
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11. Realated Product Infomation