3-Nitrobenzenesulfonic acid
Properties
- Molecular formula
- C6H5NO5S
- Molar mass
- 203.17 g/mol
- Exact mass
- 202.9888 Da
- Melting point
- 103–104 °C
- logP
- 0.84Crippen estimate
- Polar surface area
- 97.5 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage66.7% of notifiers
- H318 Causes serious eye damage33.3% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, P501
Identifiers
CAS number
98-47-5SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)O)c1InChIKey
ONMOULMPIIOVTQ-UHFFFAOYSA-NInChI
InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzenesulfonic acid, 3-nitro-
- Benzenesulfonic acid, m-nitro-
- 3-Nitrophenylsulfonic acid
- 1-Nitro-3-benzenesulfonic acid
- m-Nitrobenzenesulfonic acid
- m-Nitrophenylsulfonic acid
- NSC 166284
- 3-Nitrobenzene-1-sulfonic acid
Work with 3-Nitrobenzenesulfonic acid
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.
Similar compounds
1,1′-Sulfonylbis[3-nitrobenzene]1228-53-168 % similar
3-Nitrobenzenesulfonyl chloride121-51-762 % similar
3-Nitrobenzenesulfonamide121-52-862 % similar
1,3-Dinitrobenzene99-65-058 % similar
4-Chloro-3-nitrobenzenesulfonic acid121-18-657 % similar
2-Chloro-5-nitrobenzenesulfonic acid96-73-157 % similar
2,4-Dinitrobenzenesulfonic acid89-02-156 % similar
4,4′-Dinitro-2,2′-stilbenedisulfonic acid128-42-755 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.