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1223434-15-8

1223434-15-8 structural image
Product Name: Methyl 4-bromo-2-cyanobenzoate
Formula: C9H6BrNO2
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H301:Acute toxicity,oral
H317:Sensitisation, Skin
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P272:Contaminated work clothing should not be allowed out of the workplace.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P391:Collect spillage. Hazardous to the aquatic environment
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 240.05 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 238.95819 g/mol
Monoisotopic Mass 238.95819 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 245
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