Sodium naphthalen-1-yl phosphate hydrate

C₁₀H₉Na₂O₅PCAS 207569-06-0286.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₉Na₂O₅P
Molar mass: 286.13 g/mol
Exact mass: 285.9983 Da
logP: -5.77Crippen estimate
Polar surface area: 103.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

207569-06-0

SMILES

C1=CC=C2C(=C1)C=CC=C2OP(=O)([O-])[O-].O.[Na+].[Na+]

InChIKey

RJJPCVOIUDUWLF-UHFFFAOYSA-L

InChI

InChI=1S/C10H9O4P.2Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7H,(H2,11,12,13);;;1H2/q;2*+1;/p-2

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Names and synonyms

1 names

1-Naphthyl phosphate disodium salt monohydrate

Work with Sodium naphthalen-1-yl phosphate hydrate

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.

1-Naphthyl disodium orthophosphate2183-17-7Anhydrous 1-Naphthyl phosphate1136-89-6Free acid 1-Naphthyl phosphate monosodium salt monohydrate81012-89-7Salt Alpha-naphthyl acid phosphate monosodium salt14455-30-2Salt

Similar compounds

Disodium phenyl phosphate3279-54-751 % similar Sodium pyrophosphate decahydrate13472-36-147 % similar 4-Nitrophenyl phosphate disodium salt hexahydrate333338-18-443 % similar 1-Methoxynaphthalene2216-69-539 % similar Sodium 2-naphthalenyl phosphate (1:1)14463-68-439 % similar Tetrasodium pyrophosphate7722-88-538 % similar Sodium 1-naphthalenesulfonate130-14-338 % similar Sodium α-naphthaleneacetate61-31-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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