Bansyl compound

HCID 191102CAS 43040-76-2

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Grundinformationen

Standard-SMILES: CCCCN(CCCC)c1cccc2c(S(=O)(=O)Cl)cccc12
InChIKey: PIZHBGYIKYGXBV-UHFFFAOYSA-N
Summenformel: C18H24ClNO2S
Durchschnittliche Molmasse: 353,9 g/mol
Monoisotopische Masse: 353,1216279

Namen und Bezeichner

Bevorzugter Name: Bansyl compound
IUPAC: 5-(dibutylamino)naphthalene-1-sulfonyl chloride
Englischer Name: BANSYL CHLORIDE
Summenformel: C18H24ClNO2S
Molmasse: 353.91

Namen und Synonyme

43040-76-2Bansyl compoundDTXSID101956581-Naphthalenesulfonyl chloride, 5-(dibutylamino)-RefChem:116443DTXCID50118149Bansyl Chloride5-(Dibutylamino)naphthalene-1-sulfonyl Chloride5-Dibutylamino-naphthalene-1-sulfonyl chlorideMFCD00059134C18H24ClNO2SSCHEMBL4008678

Weitere Namen anzeigen

Bansyl Chloride (10% in Hexane)BANSYL CHLORIDE (10% IN N-HEXANE)1-(Dibutylamino)naphthalene-5-sulfonyl chloride5-(Dibutylamino)-1-naphthalenesulfonyl chloride1-(N,N-Dibutylamino)naphthalene-5-sulfonyl chloride5-(n,n-dibutylamino)naphthalene-1-sulfonyl chloride

SB83670SY050574DB-051015B0994B1122CS-04524615-(Dibutylamino)naphthalene-1-sulfonylChlorideF773818

Datenbank-Bezeichner

CAS: 43040-76-2
PubChem CID: 191102
DTXSID: DTXSID10195658
EC Number: 677-963-4
Nikkaji: J208.076A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 8
Schwere Atome: 23
Formalladung: 0
Komplexität: 440

Physikochemische Eigenschaften

Siedepunkt: 449.2 · 449.2±25.0 °C(Predicted)
Dichte: 1.19 · 1.190±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
pka: 3.52 · 3.52±0.40(Predicted)
Aggregatzustand: clear liquid to cloudy liquid
Farbe: Light yellow to Brown
InChI: 1S/C18H24ClNO2S/c1-3-5-13-20(14-6-4-2)17-11-7-10-16-15(17)9-8-12-18(16)23(19,21)22/h7-12H,3-6,13-14H2,1-2H3
InChIKey: PIZHBGYIKYGXBV-UHFFFAOYSA-N
SMILES: CCCCN(CCCC)c1cccc2c(cccc12)S(Cl)(=O)=O
CAS Datenbank: 43040 · 43040-76-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.