N,N-Dimethylsulfamide

HCID 134472CAS 3984-14-3

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Grundinformationen

Standard-SMILES: CN(C)S(N)(=O)=O
InChIKey: QMHAHUAQAJVBIW-UHFFFAOYSA-N
Summenformel: C2H8N2O2S
Durchschnittliche Molmasse: 124,17 g/mol
Monoisotopische Masse: 124,0306485

Überblick

a degradation product of the fungicide tolylfluanide; structure in first source

Namen und Bezeichner

Bevorzugter Name: N,N-Dimethylsulfamide
IUPAC: [methyl(sulfamoyl)amino]methane
Englischer Name: N,N-Dimethylsulfamide
Summenformel: C2H8N2O2S
Molmasse: 124.16

Namen und Synonyme

N,N-Dimethylsulfamide3984-14-3Sulfamide, N,N-dimethyl-UH49VX43K7DTXSID3074735RefChem:822646DTXCID1039682(dimethylsulfamoyl)amine[methyl(sulfamoyl)amino]methaneDimethylsulfamideMFCD01861286N,N-Dimethylsulphamide

Weitere Namen anzeigen

EOS-60610N.N-DiMethylsuFomesafen Impurity 6N,N-Dimethylsulfamide>N,N-DIMETHYLSULFAMOYLAMIDEN,N-Dimethylsulfamide, ≥ 98.0%

N,N-dimethylsulfuric diamideN,N-DimethylsulfamoylamideQMHAHUAQAJVBIW-UHFFFAOYSA-SULPHAMIDE, N,N-DIMETHYL-Q1225752F3334-0811dimethyl(sulfamoyl)amineaminodimethylsulfonamide

Datenbank-Bezeichner

CAS: 3984-14-3
PubChem CID: 134472
DTXSID: DTXSID3074735
UNII: UH49VX43K7
EC Number: 818-440-4
Nikkaji: J1.413.693B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 71,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 130

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

PesticidesPesticides -> Fungicides -> Amide fungicides -> Phenylsulfamide fungicides -> Transformation products

Physikochemische Eigenschaften

Schmelzpunkt: 95 · 95-96
Siedepunkt: 216.9 · 216.9±23.0 °C(Predicted)
Dichte: 1.327 · 1.327±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 11.41 · 11.41±0.60(Predicted)
Farbe: White to Off-White
CAS Datenbank: 3984 · 3984-14-3(CAS DataBase Reference)
EPA chemische Informationen: Sulfamide, N,N-dimethyl- (3984-14-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2935.90.9500
safety_code: 24/25

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationPesticides -> Fungicides -> Amide fungicides -> Phenylsulfamide fungicides -> Transformation products

Anwendungen · 1 Eintrag

VerwendenN,N-Dimethylsulfamide is a byproduct of Tolylfluanide (T536730) fungicide decomposition found in some waters. Upon ozonization it becomes a precursor for carcinogenic Nitrosodimethylamine (N525625). Otherwise N,N-Dimethylsulfamide is a versatile reactant used in various syntheses such as preparation of N-sulfonylbenzaldimines in copper-catalyzed aza-Friedel-Crafts reactions with 1-methylindole.