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400-54-4

400-54-4 structural image
Product Name: 1,1,1-TRIFLUORO-2,4-HEXANEDIONE
Formula: C6H7F3O2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H317:Sensitisation, Skin
H320:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H350:Carcinogenicity
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P272:Contaminated work clothing should not be allowed out of the workplace.
P363:Wash contaminated clothing before reuse.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P403:Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight 168.11 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 168.03981395 g/mol
Monoisotopic Mass 168.03981395 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 171
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