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948294-41-5

948294-41-5 structural image
Product Name: 4-Bromo-3,5-dimethylphenylisothiocyanate
Formula: C9H8BrNS
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 242.14 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 240.95608 g/mol
Monoisotopic Mass 240.95608 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 189
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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