4-hydroxy-N-methylbenzenesulfonamide

HCID 76502

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Basic information

CAS: 3077-61-0
Standard SMILES: CNS(=O)(=O)c1ccc(O)cc1
InChIKey: RHPDIBUPEZIAAU-UHFFFAOYSA-N
Molecular formula: C7H9NO3S
Average molar mass: 187.22 g/mol
Monoisotopic mass: 187.03031432

Names & identifiers

Preferred name: 4-hydroxy-N-methylbenzenesulfonamide
IUPAC: 4-hydroxy-N-methylbenzenesulfonamide
English name: p-Hydroxy-N-methylbenzenesulfonamide
Molecular formula: C7H9NO3S
Molecular weight: 187.22

Names & synonyms

4-hydroxy-N-methylbenzenesulfonamide3077-61-04-hydroxy-n-methylbenzene-1-sulfonamidePhenol, p-(N-methylsulfamoyl)-p-Hydroxy-N-methylbenzenesulfonamideMFCD01707199Benzenesulfonamide, 4-hydroxy-N-methyl-0A4V3504L6N-MethylsulfamoylphenolBRN 2098803UNII-0A4V3504L6Benzenesulfonamide, p-hydroxy-N-methyl-

Show more names

SCHEMBL7020553DTXSID30184786RHPDIBUPEZIAAU-UHFFFAOYSA-NN-methyl-4-hydroxybenzenesulfonamide4-hydroxy-N-methyl-benzenesulfonamideN-METHYL-1-PHENOL-4-SULFONAMIDESY489020DB-086696

Database identifiers

CAS: 3077-61-0
PubChem CID: 76502
DTXSID: DTXSID30184786
UNII: 0A4V3504L6
EC Number: 868-453-4
Nikkaji: J50.161A

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 224

Physicochemical properties

FDA UNII: 0 A4V3504L6 · 0A4V3504L6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2935909099 · 2935909099
Toxicity: 50 · mouse,LD50,oral,2500mg/kg (2500mg/kg),Journal of Agricultural and Food Chemistry. Vol. 15, Pg. 845, 1967.

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2935909099
Toxicity: mouse,LD50,oral,2500mg/kg (2500mg/kg),Journal of Agricultural and Food Chemistry. Vol. 15, Pg. 845, 1967.
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362