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Dibromoacetonitrile

CAT: 0572-TRC-D422760-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D422760-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3252-43-5
Hazard Statement
Flammable liquid and vapour; UN number: UN2920; Packing Group: II
Smiles
BrC(Br)C#N
Molecular Formula
C2 H Br2 N
Molecular Weight
198.84
InChI
InChI=1S/C2HBr2N/c3-2(4)1-5/h2H
Additionnal Information
IUPAC name: 2,2-dibromoacetonitrile
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dibromoacetonitrile

Dibromoacetonitrile can cause cancer according to The National Toxicology Program.

CAS Number3252-43-5
PubChem CID18617
IUPAC Name2,2-dibromoacetonitrile
Molecular FormulaC2HBr2N
Molecular Weight198.84
XLogP1.7
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity59
SMILES
C(#N)C(Br)Br
InChI
InChI=1S/C2HBr2N/c3-2(4)1-5/h2H
InChIKey
NDSBDLSWTGLNQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibromoacetonitrile
CAS: 3252-43-5
CID: 18617
Formula: C2HBr2N
MW: 198.84
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.84
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass198.84552
Monoisotopic Mass196.84757
Topological Polar Surface Area23.8 Ų
Heavy Atom Count5
Formal Charge0
Complexity59.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RG-A260691-01Dibromoacetonitrile
D08880-01Dibromoacetonitrile 92%
S-1225Dibromoacetonitrile - 1ML
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