Grundinformationen
- Standard-SMILES
Cc1ccc(S(=O)(=O)N(C)N=O)cc1- InChIKey
FFKZOUIEAHOBHW-UHFFFAOYSA-N- Summenformel
- C8H10N2O3S
- Durchschnittliche Molmasse
- 214,24 g/mol
- Monoisotopische Masse
- 214,04121336
Namen und Bezeichner
- Bevorzugter Name
- Diazald
- IUPAC
- N,4-dimethyl-N-nitrosobenzenesulfonamide
- Lokaler Name
- N-Methyl-N-nitrosotoluol-4-sulfonamid
- Englischer Name
- N-Methyl-N-nitrosotoluene-4-sulphonamide
- Summenformel
- C8H10N2O3S
- Molmasse
- 214.24
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
60858-95-9、80-11-5- PubChem CID
- 6628
- DTXSID
DTXSID8058827- ChEMBL
CHEMBL1606452- ChEBI
CHEBI:143725- UNII
- K3089966LA
- EC Number
- 201-252-6、693-083-3
- Nikkaji
- J3.851B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 75,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 288
Experimentelle und physikochemische Eigenschaften
Solubility
INSOL IN WATER; SOL IN ETHER, PETROLEUM ETHER, BENZENE
SOL IN CHLOROFORM, CARBON TETRACHLORIDE
VERY SOL IN HOT ALC
SOL IN MOST ORGANIC SOLVENTS
Physikochemische Eigenschaften
- Schmelzpunkt
- 58 °C · ~58 °C
- Siedepunkt
- 320.5 · 320.5±35.0 °C(Predicted)
- Dichte
- 1.3844 · 1.3844 (rough estimate)
- Brechungsindex
- 1.569 · 1.5690 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Dichloromethane (Sparingly), DMSO (Slightly), Ethyl Acetate
- Aggregatzustand
- Solid
- pka
- -19.25 · -19.25±0.70(Predicted)
- Farbe
- Pale Yellow to Yellow
- Merck
- 13 · 13,9621
- Stabilität
- Stable, but heat sensitive; may also be light sensitive. Incompatible with strong oxidizing agents, alkalies.
- CAS Datenbank
- 80 · 80-11-5(CAS DataBase Reference)
- NIST chemische Informationen
- N-methyl-n-nitroso, p-toluene sulfonamide(80-11-5)
- EPA chemische Informationen
- 4 · Benzenesulfonamide, N,4-dimethyl-N-nitroso- (80-11-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H242 (90.9%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides];H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (88.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (88.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P234, P235, P240, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and Categories
Self-react. C (90.9%);Skin Irrit. 2 (97.7%);Skin Sens. 1 (88.6%);Eye Irrit. 2 (97.7%);STOT SE 3 (88.6%)
Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3234 4.1/PG 2
- hs_code
- 29350090
- RTECS-Nr.
- XT5950000
- risk_code
- 2-36/37/38-43-20/21/22
- hazard_code
- E,Xi,Xn
- safety_code
- 15-26-35-36/37-36
- hazard_class
- 6.1(b)
- packing_group
- III
- Giftige Stoffe Daten
- 80-11-5(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to make diazomethane in the laboratory; [Merck Index]
IN LAB PREPN OF DIAZOMETHANE
Anwendungen
VerwendenN-Methyl-N-nitroso-p-toluenesulfonamide is Diazomethane precursor.
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