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Tribromoacetonitrile

CAT: 0931-T40868Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T40868Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75519-19-6
Target
Others
Related Pathways
Others
Bioactivity
Tribromoacetonitrile (CNBr3) is a nitrogen-containing disinfection byproduct that forms when bromine reacts with organic matter during water treatment processes.
Smiles
BrC(Br)(Br)C#N
Molecular Formula
C2Br3N
Molecular Weight
277.741
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tribromoacetonitrile

Tribromoacetonitrile is a liquid. (NTP, 1992)

CAS Number75519-19-6
PubChem CID3852893
IUPAC Name2,2,2-tribromoacetonitrile
Molecular FormulaC2Br3N
Molecular Weight277.74
XLogP2.3
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity82
SMILES
C(#N)C(Br)(Br)Br
InChI
InChI=1S/C2Br3N/c3-2(4,5)1-6
InChIKey
WDNIHYDTZZOFLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tribromoacetonitrile
CAS: 75519-19-6
CID: 3852893
Formula: C2Br3N
MW: 277.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.74
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass276.75604
Monoisotopic Mass274.75809
Topological Polar Surface Area23.8 Ų
Heavy Atom Count6
Formal Charge0
Complexity82.7
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
TRC-T771700-2.5MGTribromoacetonitrile

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