Benzyltrimethylammonium dichloroiodate

C10H16Cl2INCAS 114971-52-7348.05 g/mol

Open in Covalent MOL file
N+ClI−Cl
Quaternary ammonium

Properties

Molecular formula
C10H16Cl2IN
Molar mass
348.05 g/mol
Exact mass
346.9705 Da
Melting point
125–126 °C
logP
0.28Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
114971-52-7
SMILES
C[N+](C)(C)Cc1ccccc1.Cl[I-]Cl
InChIKey
PPDJNZTUDFPAHX-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N.Cl2I/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzenemethanaminium, N,N,N-trimethyl-, dichloroiodate(1-) (1:1)
  • Benzenemethanaminium, N,N,N-trimethyl-, dichloroiodate(1-)
  • Iodate(1-), dichloro-, N,N,N-trimethylbenzenemethanaminium
  • Benzyltrimethylammonium dichloroiodide

Work with Benzyltrimethylammonium dichloroiodate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzyltrimethylammonium hydroxide100-85-6Salt Benzyltrimethylammonium chloride56-93-9Salt Benzyltrimethylammonium bromide5350-41-4Salt Benzyltrimethylammonium iodide4525-46-6Salt Benzyltrimethylammonium tribromide111865-47-5Salt

Similar compounds

Benzyltriethylammonium hydroxide1836-42-638 % similar Benzyltriethylammonium bromide5197-95-538 % similar Benzyl triethylammonium chloride56-37-138 % similar Benzyltripropylammonium chloride5197-87-536 % similar Benzyltriethylammonium tetrafluoroborate77794-93-535 % similar Bibenzyl103-29-735 % similar Ethylbenzene100-41-434 % similar Benzyl chloride100-44-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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