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Trimethylphenylammonium Tribromide

CAT: 0572-TRC-T796140-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-T796140-10GSize:10 g
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CAS Number
4207-56-1
Synonyms
N,N,N-Trimethylbenzenaminium (Tribromide) (1:1); Trimethylphenylammonium (Tribromide); N,N,N-Trimethylbenzenaminium (Tribromide); N,N,N-Trimethylbenzenaminium Bromide (Br31-); Jacques Reagent; NSC 138640; NSC 173340; NSC 87897; Phenyltrimethylammonium Perbromide; Phenyltrimethylammonium Tribromide; Trimethylphenylammonium Perbromide
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Smiles
C[N+](C)(C)c1ccccc1.Br[Br-]Br
Molecular Formula
C9H14Br3N
Molecular Weight
375.93
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
CAS Number4207-56-1
PubChem CID77880
Molecular FormulaC9H14Br3N
Molecular Weight375.93
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity95
SMILES
C[N+](C)(C)C1=CC=CC=C1.Br[Br-]Br
InChI
InChI=1S/C9H14N.Br3/c1-10(2,3)9-7-5-4-6-8-9;1-3-2/h4-8H,1-3H3;/q+1;-1
InChIKey
PRXNKYBFWAWBNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
CAS: 4207-56-1
CID: 77880
Formula: C9H14Br3N
MW: 375.93
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.93
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass374.86559
Monoisotopic Mass372.86764
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity95.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes