Benzenamine, N-sulfinyl-

HCID 70739

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1122-83-4
Standard SMILES: O=S=Nc1ccccc1
InChIKey: FIOJWGRGPONADF-UHFFFAOYSA-N
Molecular formula: C6H5NOS
Average molar mass: 139.18 g/mol
Monoisotopic mass: 139.00918478

Names & identifiers

Preferred name: Benzenamine, N-sulfinyl-
IUPAC: (sulfinylamino)benzene
English name: N-Thionylaniline
Molecular formula: C6H5NOS
Molecular weight: 139.18

Names & synonyms

N-Thionylaniline1122-83-4N-SulfinylanilineBenzenamine, N-sulfinyl-PhenylsulfinylamineThionylanilineN-SulfinylbenzenamineSulfinylphenylamineAniline, N-sulfinyl-PhenylthionylamineThionyl imide, phenyl-Sulfurous imide, phenyl-

Show more names

Sulfilimine, phenyl

N-SulphinylanilineNSC 40228SV7R5HC44RNSC-40228EINECS 214-362-4(N(E))-N-Sulfinylbenzenamine[N(E)]-N-SulfinylbenzenamineAI3-22597

Database identifiers

CAS: 1122-83-4、222851-56-1
PubChem CID: 70739
DTXSID: DTXSID0061533
UNII: SV7R5HC44R
EC Number: 214-362-4
Nikkaji: J1.707.426A、J110.516G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 30.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 125

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 200 °C · 200 °C (lit.) 83 °C/15 mmHg (lit.)
Density: 1.236 g/mL · 1.236 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.627(lit.)
Flash point: 184 °F · 184 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
form: Liquid
color: very strongly colored
Water Solubility: Partly miscible in water.
BRN: 507682 · 507682
InChI: InChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H
InChIKey: FIOJWGRGPONADF-UHFFFAOYSA-N
SMILES: C1(N=S=O)=CC=CC=C1
CAS DataBase Reference: 1122 · 1122-83-4(CAS DataBase Reference)
FDA UNII: 7 R5HC44R · SV7R5HC44R
EPA Substance Registry System: Benzenamine, N-sulfinyl- (1122-83-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 315 · H315-H319-H334-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-42/43
Safety Statements: 26 · 26-36-45-23
WGK Germany: 3 · 3
F: 1 · 1
TSCA: TSCA listed
HS Code: 29299090 · 29299090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Resp · Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.