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252742-72-6

252742-72-6 structural image
Product Name: 5-Chloromethyl-2H-1,2,4-triazolin-3-one
Formula: C3H4ClN3O
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H290:Corrosive to Metals
H314:Skin corrosion/irritation
Precautionary Statement Codes P234:Keep only in original container.
P260:Do not breathe 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.
P363:Wash contaminated clothing before reuse.
P390:Absorb spillage to prevent material damage.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P405:Store locked up.
P406:Store in corrosive resistant/… container with a resistant inner liner.

COMPUTED DESCRIPTORS

Molecular Weight 133.54 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 133.0042895 g/mol
Monoisotopic Mass 133.0042895 g/mol
Topological Polar Surface Area 53.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 144
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