Hexylphosphonic acid

C6H15O3PCAS 4721-24-8166.16 g/mol

Open in Covalent MOL file
POOHOH
Phosphonate

Properties

Molecular formula
C6H15O3P
Molar mass
166.16 g/mol
Exact mass
166.0759 Da
logP
1.74Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P390, P405, P406, P501

Identifiers

CAS number
4721-24-8
SMILES
CCCCCCP(=O)(O)O
InChIKey
GJWAEWLHSDGBGG-UHFFFAOYSA-N
InChI
InChI=1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)

Weigh it out

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

Names and synonyms

1 names
  • N-Hexylphosphonic acid

Work with Hexylphosphonic acid

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

Tetradecylphosphonic acid4671-75-4100 % similar Octadecylphosphonic acid4724-47-4100 % similar Octylphosphonic acid4724-48-5100 % similar Propylphosphonic acid4672-38-268 % similar Trioctylphosphine oxide78-50-256 % similar (3-Bromopropyl)phosphonic acid1190-09-648 % similar 3-Aminopropylphosphonic acid13138-33-548 % similar Diethyl decylphosphonate16165-68-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Triethyl phosphite122-52-1 Diisopropylphosphite1809-20-7 Diethyl ethylphosphonate78-38-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook