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654-70-6

654-70-6 structural image
Product Name: 4-Amino-2-(trifluoromethyl)benzonitrile
Formula: C8H5F3N2
Synonyms: 4-Cyano-3-trifluoromethylaniline
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 186.13 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 0
Exact Mass 186.04048265 g/mol
Monoisotopic Mass 186.04048265 g/mol
Topological Polar Surface Area 49.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 227
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

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