N-Benzylidenebenzenesulfonamide

HCID 555202

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Basic information

CAS: 13909-34-7
Standard SMILES: O=S(=O)(N=Cc1ccccc1)c1ccccc1
InChIKey: MPNRJEPBAYEQBY-UHFFFAOYSA-N
Molecular formula: C13H11NO2S
Average molar mass: 245.3 g/mol

Overview

See also: Benzenesulfonamide, N-(phenylmethylene)- (annotation moved to).

Names & identifiers

Preferred name: N-Benzylidenebenzenesulfonamide
IUPAC: N-benzylidenebenzenesulfonamide
English name: N-Benzylidenebenzenesulfonamide
Molecular formula: C13H11NO2S
Molecular weight: 245.3

Names & synonyms

N-BenzylidenebenzenesulfonamideRefChem:829261628-396-613909-34-7(E)-N-benzylidenebenzenesulfonamide130552-90-8MFCD00011587N-Benzylidene-benzenesulphonamideSCHEMBL984789N-benzylidenebenzene sulfonamideSCHEMBL1933484SCHEMBL12699925

Show more names

N-BENZYLIDINE BENZENESULFONAMIDEN-(Phenylsulfonyl)benzylideneamineN-Benzylidenebenzenesulfonamide >N-(Phenylsulfonyl)phenylmethaneimineN-BENZYLIDENEBENZENESULFONAMIDE 97%N-(PhenylMethylene)benzenesulfonaMideBenzenesulfonamide, N-(phenylmethylene)-N-BENZYLIDENEBENZENESULFONAMIDE ISO 9001：2015 REACH

N-(benzylidene)benzenesulfonamideDB-247253DB-371397W10723

Database identifiers

CAS: 13909-34-7
PubChem CID: 555202
EC Number: 628-396-6

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 344

Physicochemical properties

Melting point: 78 · 78-81 °C(lit.)
Boiling point: 406.3 · 406.3±28.0 °C(Predicted)
Density: 1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.: room temp
solubility: Chloroform, DCM
form: Solid
pka: -4.08 · -4.08±0.50(Predicted)
color: White
BRN: 1964884 · 1964884
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C13H11NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-11H/b14-11+
InChIKey: MPNRJEPBAYEQBY-SDNWHVSQSA-N
SMILES: O=S(=O)(\N=C\c1ccccc1)c2ccccc2
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 8 · 8-10-21
HS Code: 2935.9 · 2935.90.9500
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 8-10-21
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2935.90.9500
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesN-(Phenylmethylene)benzenesulfonamide is an intermediate in the synthesis of Davis Oxaziridine (D194900), an oxidizing agent used in the preparation of wide variety of pharmaceutical compounds. Dyes and metabolites.