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Product No: CB8580

7-Fluoroisatin, >98.0%

Name: 7-Fluoroisatin
Brand: Chempure

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CAS Number

317-20-4

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About this item

IUPAC name	7-fluoro-1H-indole-2,3-dione
canonical smiles	C1=CC2=C(C(=C1)F)NC(=O)C2=O
inchi	InChI=1S/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
inchi key	HGBGVEOXPHGSOS-UHFFFAOYSA-N
molecular formula	C8H4FNO2
synonyms	7-Fluoroisatin 317-20-4 7-fluoroindoline-2,3-dione 7-Fluoro-1H-indole-2,3-dione 1H-Indole-2,3-dione, 7-fluoro-

Computed Properties

Molecular Weight:	165.12 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	165.02260653 g/mol
Monoisotopic Mass:	165.02260653 g/mol
Topological Polar Surface Area:	46.2 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	241
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

2-Mercaptobenzothiazole

2-Hydroxy-1,4-naphthoquinone

1,2-Naphthoquinone

2-Hydroxyquinoline

2-Benzoxazolinone

Isatin

Acenaphthenequinone

Isatoic anhydride

2-Mercaptobenzimidazole

2,4-Quinolinediol

Phthalide

6-Chloroquinoxaline-2,3-diol

Oxindole

2-Mercaptobenzoxazole

2-Methylindole

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (86.67%) Skin Irrit. 2 (15.56%) Skin Sens. 1 (86.67%) Eye Irrit. 2A (15.56%) STOT SE 3 (15.56%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (15.56%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (86.67%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (15.56%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (15.56%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	7-fluoro-1H-indole-2,3-dione
canonical smiles	C1=CC2=C(C(=C1)F)NC(=O)C2=O
inchi	InChI=1S/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
inchi key	HGBGVEOXPHGSOS-UHFFFAOYSA-N
molecular formula	C8H4FNO2
synonyms	7-Fluoroisatin 317-20-4 7-fluoroindoline-2,3-dione 7-Fluoro-1H-indole-2,3-dione 1H-Indole-2,3-dione, 7-fluoro-

Computed Properties

Molecular Weight:	165.12 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	165.02260653 g/mol
Monoisotopic Mass:	165.02260653 g/mol
Topological Polar Surface Area:	46.2 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	241
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

2-Mercaptobenzothiazole

2-Hydroxy-1,4-naphthoquinone

1,2-Naphthoquinone

2-Hydroxyquinoline

2-Benzoxazolinone

Isatin

Acenaphthenequinone

Isatoic anhydride

2-Mercaptobenzimidazole

2,4-Quinolinediol

Phthalide

6-Chloroquinoxaline-2,3-diol

Oxindole

2-Mercaptobenzoxazole

2-Methylindole

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (86.67%) Skin Irrit. 2 (15.56%) Skin Sens. 1 (86.67%) Eye Irrit. 2A (15.56%) STOT SE 3 (15.56%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (15.56%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (86.67%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (15.56%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (15.56%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CB8580

7-Fluoroisatin, >98.0%

Product No: CB8580

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CB8580

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?