N,N-Bis(2-chlorethyl)-p-toluolsulfonamid

N,N-bis(2-chloroethyl)-p-toluenesulphonamide

HCID 96039CAS 42137-88-2

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Grundinformationen

Standard-SMILES: Cc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1
InChIKey: PTVBBIMKLOMGSY-UHFFFAOYSA-N
Summenformel: C11H15Cl2NO2S
Durchschnittliche Molmasse: 296,2 g/mol
Monoisotopische Masse: 295,0200553

Namen und Bezeichner

Bevorzugter Name: N,N-bis(2-chloroethyl)-p-toluenesulphonamide
IUPAC: N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide
Lokaler Name: N,N-Bis(2-chlorethyl)-p-toluolsulfonamid
Englischer Name: N,N-Bis(2-chloroethyl)-p-toluenesulfonamide
Summenformel: C11H15Cl2NO2S
Molmasse: 296.21

Namen und Synonyme

N,N-Bis(2-chloroethyl)-p-toluenesulphonamideEINECS 255-677-7DTXSID20194970NSC 49364RefChem:822129DTXCID60117461255-677-742137-88-2N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamideN,N-Bis(2-chloroethyl)-p-toluenesulfonamideMFCD00018944C11H15Cl2NO2S

Weitere Namen anzeigen

DK780LABOTEST-BB LT00455209N,N-Bis(2-chloroethyl)Tolbutamide Impurity 13N-BIS(2-CHLOROETHYL)-P-TOLUENESULFONAMIDEN,N-Bis(-chloroethyl)-p-toluenesulfonamideN,N-BIS(B-CHLOROETHYL)-P-TOLUENESULFONAMIDE

N,N-bis(2-chloroethyl)-4-methylbenzene-1-sulfonamideNSC-49364Benzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-N,N-Bis(2-chloroethyl)-p-toluenesulfonamide, Technical Grade 90%N,N-Bis(.beta.-chloroethyl)-p-toluenesulfonamideN,N-Bis(2-chloroethyl)-p-toluenesulfonamide, Technical Grade 90per centBenzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-; p-Toluenesulfonamide, N,N-bis(2-chloroethyl)- (6CI,7CI); N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide; N,N-Bis(2-chloroethyl)-4-methylbenzensulfonamide; N,N-Bis(2-chloroethyl)-p-toluenesulfonamide; NSC 49364NSC49364

Datenbank-Bezeichner

CAS: 42137-88-2
PubChem CID: 96039
DTXSID: DTXSID20194970
UNII: QX3W3PH4DC
EC Number: 255-677-7
Nikkaji: J267.314B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 17
Formalladung: 0
Komplexität: 302

Physikochemische Eigenschaften

Schmelzpunkt: 43 · 43-50 °C
Siedepunkt: 409.1 · 409.1±55.0 °C(Predicted)
Dichte: 1.2228 · 1.2228 (rough estimate)
Brechungsindex: 1.6 · 1.6000 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Chloroform
Aggregatzustand: powder to crystal
pka: -8.48 · -8.48±0.70(Predicted)
Farbe: White to Light yellow
BRN: 2134258 · 2134258
InChIKey: PTVBBIMKLOMGSY-UHFFFAOYSA-N
CAS Datenbank: 42137 · 42137-88-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Danger

H301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 45 reports by companies.；There are 3 notifications provided by 44 of 45 reports by companies with hazard statement code(s).；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.