Methanesulfonamide, N-phenyl-

HCID 70970CAS 1197-22-4

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)Nc1ccccc1
InChIKey: LBTPIFQNEKOAIM-UHFFFAOYSA-N
Molecular formula: C7H9NO2S
Average molar mass: 171.22 g/mol
Monoisotopic mass: 171.03539953

Names & identifiers

Preferred name: Methanesulfonamide, N-phenyl-
IUPAC: N-phenylmethanesulfonamide
English name: N-Phenylmethanesulfonamide
Molecular formula: C7H9NO2S
Molecular weight: 171.22

Names & synonyms

N-Phenylmethanesulfonamide1197-22-4Methanesulfonamide, N-phenyl-MethanesulfonanilideN-MesylanilineMethanesulfanilideN-MethylsulphonylanilineNSC 11329DTXSID6061606RefChem:811480Methanesulfonanilide (8CI)DTXCID3033515

Show more names

MESYLANILINEMESYLANILIDEMethylsulfonanilideTIMTEC-BB SBB008328N-MesylbenzeneamineIbutilide Impurity 3

601-626-2MFCD00043782N-Phenyl-methanesulfonamideW3PE9S4SRQCHEMBL24367NSC-11329(methylsulfonyl)phenylamineN-(Methylsulfonyl)aniline

Database identifiers

CAS: 1197-22-4
PubChem CID: 70970
DTXSID: DTXSID6061606
ChEMBL: CHEMBL24367
UNII: W3PE9S4SRQ
EC Number: 601-626-2
Nikkaji: J421.565F

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 199

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP0.95

Physicochemical properties

Melting point: 93 · 93-97 °C
Boiling point: 180.08 °C · 180.08°C (rough estimate)
Density: 1.2495 · 1.2495 (rough estimate)
refractive index: 1.61 · 1.6100 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
pka: 8 · 8+-.0.10(Predicted)
form: Crystalline Powder
color: White to light beige
CAS DataBase Reference: 1197 · 1197-22-4(CAS DataBase Reference)
FDA UNII: 3 PE9S4SRQ · W3PE9S4SRQ
NIST Chemistry Reference: Methanesulfanilide(1197-22-4)
EPA Substance Registry System: Methanesulfonamide, N-phenyl- (1197-22-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety Statements: 24 · 24/25
TSCA: TSCA listed
HS Code: 29350090 · 29350090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 13-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19414

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

Safety data

tsca: TSCA listed
hs_code: 29350090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313