4-Nitrophenylsulfur Pentafluoride, >96.0%

Name: 4-Nitrophenylsulfur Pentafluoride
Brand: Chempure

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CAS Number

2613-27-6

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About this item

IUPAC name	pentafluoro-(4-nitrophenyl)-λ6-sulfane
inchi	InChI=1S/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-5(2-4-6)12(13)14/h1-4H
inchi key	AGNCKMHGYZKMLN-UHFFFAOYSA-N
molecular formula	C6H4F5NO2S
synonyms	4-Nitrophenylsulfur Pentafluoride 2613-27-6 4-nitrophenylsulphur pentafluoride Sulfur, pentafluoro(4-nitrophenyl)-, (OC-6-21)- pentafluoro-(4-nitrophenyl)-lambda6-sulfane

Computed Properties

Molecular Weight:	249.16 g/mol
XLogP3:	5.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	0
Exact Mass:	248.98829035 g/mol
Monoisotopic Mass:	248.98829035 g/mol
Topological Polar Surface Area:	46.8 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	274
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

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) Eye Irrit. 2A (100%) Acute Tox. 3 (28.57%) STOT SE 3 (28.57%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

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*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!

Product No: BX7734

4-Nitrophenylsulfur Pentafluoride, >96.0%

Product No: BX7734

About this item

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CHEMICAL AND PHYSICAL PROPERTIES

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Certificate of Analysis

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Product No: BX7734

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?