3-Chloro-4-(dimethylamino)benzenediazonium hexafluorophosphate

C₈H₉ClF₆N₃PCAS 68400-43-1327.60 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₈H₉ClF₆N₃P
Molar mass: 327.60 g/mol
Exact mass: 327.0127 Da
logP: 6.27Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H228 Flammable solid33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P501

Identifiers

CAS number

68400-43-1

SMILES

CN(C)c1ccc([N+]#N)cc1Cl.F[P-](F)(F)(F)(F)F

InChIKey

HJLAYYLOWPGISJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClN3.F6P/c1-12(2)8-4-3-6(11-10)5-7(8)9;1-7(2,3,4,5)6/h3-5H,1-2H3;/q+1;-1

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Names and synonyms

3 names

Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-) (1:1)
Benzenediazonium, 3-chloro-4-(dimethylamino)-, hexafluorophosphate(1-)
Phosphate(1-), hexafluoro-, 3-chloro-4-(dimethylamino)benzenediazonium

Work with 3-Chloro-4-(dimethylamino)benzenediazonium hexafluorophosphate

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

Similar compounds

2-Chloro-N,N-dimethylbenzenamine698-01-146 % similar p-(Dimethylamino)benzenediazonium trichlorozincate6087-56-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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