CAS 5246-57-1 Ethanol, 2-[(3-aminophenyl)sulfonyl]- (HCID 78905)

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Basic information

CAS: 5246-57-1
Standard SMILES: Nc1cccc(S(=O)(=O)CCO)c1
InChIKey: ASASRSMRAPYLQI-UHFFFAOYSA-N
Molecular formula: C8H11NO3S
Average molar mass: 201.247 g/mol
Monoisotopic mass: 201.04596421

Names & identifiers

Preferred name: Ethanol, 2-[(3-aminophenyl)sulfonyl]-
IUPAC: 2-(3-Aminobenzene-1-sulfonyl)ethan-1-ol
English name: 2-[(3-Aminophenyl) Sulfonyl)Ethanol
Molecular formula: C8H11NO3S
Molecular weight: 201.24

Names & synonyms

2-[(3-Aminophenyl) SMeta Base Aniline NH2 Oil Formm-B-HydroxyethylSulfonylAniline3-AminophenylhydroxyethylsulfonM-β-Hydroxyethylsulfonyl Aniline2-(3-azanylphenyl)sulfonylethanolM-SS-HYDROXYETHYLSULFONYL ANILINE2-[(3-aminophenyl)sulphonyl]ethanolEthanol, 2-[(3-aminophenyl)sulfonyl]-3-Aminophenyl(2-hydroxyethyl) sulfone

Database identifiers

CAS: 5246-57-1
PubChem CID: 78905
DTXSID: DTXSID4063741
ChEMBL: CHEMBL163026
EC Number: 226-046-3
Nikkaji: J297.956J

Properties

Physicochemical properties

Melting point: 74 · 74-75 °C(Solv: chloroform (67-66-3))
Boiling point: 487.7 · 487.7±45.0 °C(Predicted)
Density: 1.364 · 1.364±0.06 g/cm3(Predicted)
vapor pressure: 0 Pa · 0Pa at 25℃
solubility: soluble in Methanol
form: Solid
pka: 13.73 · 13.73±0.10(Predicted)
color: White to Brown
LogP: -0.096 at · -0.096 at 32℃ and pH5.35
EPA Substance Registry System: 2 · Ethanol, 2-[(3-aminophenyl)sulfonyl]- (5246-57-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
TSCA: TSCA listed
HS Code: 2930.9 · 2930.90.2900
REACH Registrations: Inactive

Safety & regulation

Safety data

tsca: TSCA listed
hs_code: 2930.90.2900
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
REACH Registrations: Inactive
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313