Sulfosalicylic acid dihydrate

C₇H₁₀O₈SCAS 5965-83-3254.21 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Sulfonic acid

Properties

Molecular formula: C₇H₁₀O₈S
Molar mass: 254.21 g/mol
Exact mass: 254.0096 Da
logP: -1.31Crippen estimate
Polar surface area: 174.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed57.7% of notifiers
H314 Causes severe skin burns and eye damage80.4% of notifiers
H315 Causes skin irritation19% of notifiers
H318 Causes serious eye damage84.7% of notifiers
H319 Causes serious eye irritation13.2% of notifiers
H335 May cause respiratory irritation23.9% of notifiers

Aggregated from 326 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

5965-83-3

SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.O

InChIKey

BHDKTFQBRFWJKR-UHFFFAOYSA-N

InChI

InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2

Weigh it out

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

Names and synonyms

1 names

5-Sulfosalicylic acid dihydrate

Work with Sulfosalicylic acid dihydrate

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.

5-Sulfosalicylic acid97-05-2Anhydrous

Similar compounds

4-Sulfophthalic acid89-08-768 % similar 5-(Chlorosulfonyl)-2-hydroxybenzoic acid17243-13-961 % similar 5-Sulfoanthranilic acid3577-63-761 % similar 2-Amino-4-sulfobenzoic acid98-43-159 % similar 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-653 % similar Gentisic acid490-79-951 % similar 4-Hydroxyisophthalic acid636-46-451 % similar 3-Amino-2-hydroxy-5-sulfobenzoic acid6201-86-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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