Hexafluoroacetone, anhydrous, 97%

Name: Hexafluoroacetone, anhydrous
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

684-16-2

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IUPAC name	1,1,1,3,3,3-hexafluoropropan-2-one
canonical smiles	C(=O)(C(F)(F)F)C(F)(F)F
inchi	InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9
inchi key	VBZWSGALLODQNC-UHFFFAOYSA-N
molecular formula	C3F6O
synonyms	Hexafluoroacetone 684-16-2 Perfluoroacetone Perfluoro-2-propanone Acetone, hexafluoro-
Compound Description	Hexafluoroacetone is a colorless, toxic, and highly reactive gas. At ambient temperatures, it is likely to generate a considerable amount of vapor. It is an irritant to skin, eyes and mucous membranes and is toxic by ingestion, skin absorption, and inhalation. When heated to high temperatures it emits toxic fluoride fumes. Prolonged exposure of the container to fire or intense heat may cause it to violently rupture and rocket. It is used in the production of other chemicals. Hexafluoroacetone is a ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. It has a role as a NMR chemical shift reference compound. It is a ketone and a perfluorinated compound.

Computed Properties

Molecular Weight:	166.02 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	0
Exact Mass:	165.98533359 g/mol
Monoisotopic Mass:	165.98533359 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	124
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	Press. Gas (Comp.) (73.8%) Acute Tox. 3 (62.03%) Acute Tox. 2 (25.13%) Acute Tox. 3 (36.9%) Skin Corr. 1B (73.8%) Skin Irrit. 2 (26.2%) Eye Dam. 1 (40.11%) Acute Tox. 2 (98.93%) Repr. 1B (45.99%) Repr. 1B (14.97%) STOT SE 1 (50.27%) STOT RE 1 (25.13%) Gases under pressure - Liquefied gas Acute toxicity (Inhalation: Gases) - Category 2 Skin corrosion/irritation - Category 2 Serious eye damage/eye irritation - Category 2A-2B Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (testis, kidney, liver, thymus), Category 2 (respiratory system) Specific target organ toxicity - Repeated exposure - Category 1 (testis, kidney, blood) Reactive - 2nd degree
precautionary statement codes	P203, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P403+P233, P405, P410+P403, and P501
hazard statements	H280 (73.8%): Contains gas under pressure; may explode if heated [Warning Gases under pressure] H301+H311 (14.97%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H301 (62.03%): Toxic if swallowed [Danger Acute toxicity, oral] H310 (25.13%): Fatal in contact with skin [Danger Acute toxicity, dermal] H311 (36.9%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (73.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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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	1,1,1,3,3,3-hexafluoropropan-2-one
canonical smiles	C(=O)(C(F)(F)F)C(F)(F)F
inchi	InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9
inchi key	VBZWSGALLODQNC-UHFFFAOYSA-N
molecular formula	C3F6O
synonyms	Hexafluoroacetone 684-16-2 Perfluoroacetone Perfluoro-2-propanone Acetone, hexafluoro-
Compound Description	Hexafluoroacetone is a colorless, toxic, and highly reactive gas. At ambient temperatures, it is likely to generate a considerable amount of vapor. It is an irritant to skin, eyes and mucous membranes and is toxic by ingestion, skin absorption, and inhalation. When heated to high temperatures it emits toxic fluoride fumes. Prolonged exposure of the container to fire or intense heat may cause it to violently rupture and rocket. It is used in the production of other chemicals. Hexafluoroacetone is a ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. It has a role as a NMR chemical shift reference compound. It is a ketone and a perfluorinated compound.

Computed Properties

Molecular Weight:	166.02 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	0
Exact Mass:	165.98533359 g/mol
Monoisotopic Mass:	165.98533359 g/mol
Topological Polar Surface Area:	17.1 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	124
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	Press. Gas (Comp.) (73.8%) Acute Tox. 3 (62.03%) Acute Tox. 2 (25.13%) Acute Tox. 3 (36.9%) Skin Corr. 1B (73.8%) Skin Irrit. 2 (26.2%) Eye Dam. 1 (40.11%) Acute Tox. 2 (98.93%) Repr. 1B (45.99%) Repr. 1B (14.97%) STOT SE 1 (50.27%) STOT RE 1 (25.13%) Gases under pressure - Liquefied gas Acute toxicity (Inhalation: Gases) - Category 2 Skin corrosion/irritation - Category 2 Serious eye damage/eye irritation - Category 2A-2B Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 1 (testis, kidney, liver, thymus), Category 2 (respiratory system) Specific target organ toxicity - Repeated exposure - Category 1 (testis, kidney, blood) Reactive - 2nd degree
precautionary statement codes	P203, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P403+P233, P405, P410+P403, and P501
hazard statements	H280 (73.8%): Contains gas under pressure; may explode if heated [Warning Gases under pressure] H301+H311 (14.97%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H301 (62.03%): Toxic if swallowed [Danger Acute toxicity, oral] H310 (25.13%): Fatal in contact with skin [Danger Acute toxicity, dermal] H311 (36.9%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (73.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Product No: AI4482

Hexafluoroacetone, anhydrous, 97%

Product No: AI4482

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AI4482

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?