1-Naphthalenediazonium, 2-hydroxy-4-sulfo-, inner salt

C₁₀H₆N₂O₄SCAS 887-76-3250.23 g/mol

Open in Covalent MOL file

Phenol Sulfonic acid

Properties

Molecular formula: C₁₀H₆N₂O₄S
Molar mass: 250.23 g/mol
Exact mass: 250.0048 Da
logP: 1.93Crippen estimate
Polar surface area: 105.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

Hazards

Danger

H228 Flammable solid95.4% of notifiers
H314 Causes severe skin burns and eye damage96.1% of notifiers
H317 May cause an allergic skin reaction68.6% of notifiers
H318 Causes serious eye damage71.9% of notifiers

Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P370+P378, P405, P501

Identifiers

CAS number

887-76-3

SMILES

N#[N+]c1c(O)cc(S(=O)(=O)[O-])c2ccccc12

InChIKey

QHIBNGIZPPHJAT-UHFFFAOYSA-N

InChI

InChI=1S/C10H6N2O4S/c11-12-10-7-4-2-1-3-6(7)9(5-8(10)13)17(14,15)16/h1-5H,(H-,13,14,15,16)

Weigh it out

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

Names and synonyms

3 names

1-Naphthalenediazonium, 2-hydroxy-4-sulfo-, hydroxide, inner salt
2-Hydroxy-4-sulfo-1-naphthalenediazonium hydroxide, inner salt
NSC 163345

Work with 1-Naphthalenediazonium, 2-hydroxy-4-sulfo-, inner salt

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

Sodium 1-naphthol-4-sulfonate6099-57-654 % similar C.I. Mordant black 172538-85-450 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-250 % similar Pyranine6358-69-649 % similar Sodium O-phenolsulfonate1300-51-248 % similar Disodium 1,5-naphthalenedisulfonate1655-29-444 % similar Azorubine3567-69-943 % similar Hydroxynaphthol blue63451-35-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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