Fosfosal

C₇H₇O₆PCAS 6064-83-1218.10 g/mol

Open in Covalent MOL file

Carboxylic acid Phosphate

Properties

Molecular formula: C₇H₇O₆P
Molar mass: 218.10 g/mol
Exact mass: 217.9980 Da
Melting point: 169 °C
logP: 0.86Crippen estimate
Polar surface area: 104.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation88.4% of notifiers
H319 Causes serious eye irritation88.4% of notifiers
H335 May cause respiratory irritation88.4% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6064-83-1

SMILES

O=C(O)c1ccccc1OP(=O)(O)O

InChIKey

FFKUDWZICMJVPA-UHFFFAOYSA-N

InChI

InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)

Weigh it out

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

Names and synonyms

13 names · show all

Benzoic acid, 2-(phosphonooxy)-
Salicylic acid, dihydrogen phosphate
Salicylic acid, phosphate
2-(Phosphonooxy)benzoic acid
o-Carboxyphenyl phosphate
Salicyl phosphate
2-Carboxyphenyl dihydrogen phosphate
Phosphoric acid o-carboxyphenyl ester
UR 1522
UR 1521
Disdolen
2-Phosphonoxybenzoic acid
NSC 46475

Work with Fosfosal

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-Methoxybenzoic acid529-75-956 % similar o-Anisic acid579-75-956 % similar 2-Phenoxybenzoic acid2243-42-754 % similar Phthalic acid88-99-352 % similar 2-Ethoxybenzoic acid134-11-251 % similar 2-(Trifluoromethoxy)benzoic acid150436-84-351 % similar 2-(Trifluoromethoxy)benzoic acid1979-29-951 % similar Aspirin50-78-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook