3-Amino-4-hydroxybenzenesulfonic acid

C₆H₇NO₄SCAS 98-37-3189.19 g/mol

Open in Covalent MOL file

Phenol Primary amine Sulfonic acid

Properties

Molecular formula: C₆H₇NO₄S
Molar mass: 189.19 g/mol
Exact mass: 189.0096 Da
Melting point: 155–156 °C
Water solubility: < 1 g/L (21.5 °C)
logP: 0.22Crippen estimate
Polar surface area: 100.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage69.2% of notifiers
H315 Causes skin irritation12.3% of notifiers
H319 Causes serious eye irritation12.3% of notifiers

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

98-37-3

SMILES

Nc1cc(S(=O)(=O)O)ccc1O

InChIKey

ULUIMLJNTCECJU-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11)

Weigh it out

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

Names and synonyms

15 names · show all

Benzenesulfonic acid, 3-amino-4-hydroxy-
Metanilic acid, 4-hydroxy-
1-Phenol-4-sulfonic acid, 2-amino-
o-Aminophenol-p-sulfonic acid
2-Aminophenol-4-sulfonic acid
4-Hydroxy-3-aminobenzenesulfonic acid
1-Hydroxy-2-aminobenzene-4-sulfonic acid
2-Amino-1-phenol-4-sulfonic acid
2-Hydroxy-5-sulfoaniline
2-Amino-4-sulfophenol
1-Amino-2-hydroxy-5-benzenesulfonic acid
NSC 1491
3-Amino-4-hydroxybenzene-1-sulfonic acid
2-Amino-1-hydroxybenzene-4-sulphonic acid
3-Azaniumyl-4-hydroxybenzenesulfonate

Work with 3-Amino-4-hydroxybenzenesulfonic 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

3,4-Diaminobenzenesulfonic acid7474-78-470 % similar ABPS7545-50-868 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-266 % similar 2-Aminophenol-4-sulfonamide98-32-864 % similar 3-Amino-4-methylbenzenesulfonic acid618-03-162 % similar 2-Amino-4-(methylsulfonyl)phenol98-30-662 % similar 3-Amino-4-chlorobenzenesulfonic acid98-36-262 % similar Aniline-2,4-disulfonic acid137-51-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiophen-3-amine oxalate861965-63-1

Elsewhere

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