4-(Dipropylsulfamoyl)benzoyl chloride

HCID 2735528CAS 29171-72-0

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Grundinformationen

Standard-SMILES: CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIKey: LCQXGFTXKWEWQC-UHFFFAOYSA-N
Summenformel: C13H18ClNO3S
Durchschnittliche Molmasse: 303,81 g/mol
Monoisotopische Masse: 303,0695923

Namen und Bezeichner

Bevorzugter Name: 4-(Dipropylsulfamoyl)benzoyl chloride
IUPAC: 4-(dipropylsulfamoyl)benzoyl chloride
Englischer Name: 4-[(Dipropylamino)sulfonyl]benzene-1-carbonyl chloride
Summenformel: C13H18ClNO3S
Molmasse: 303.8

Namen und Synonyme

29171-72-04-(dipropylsulfamoyl)benzoyl ChlorideDTXSID80370773RefChem:288968DTXCID403218074-(N,N-Dipropylsulfamoyl)benzoyl chlorideBenzoyl chloride, 4-[(dipropylamino)sulfonyl]-4-[(Dipropylamino)Sulfonyl]Benzene-1-Carbonyl ChlorideMFCD00121817SCHEMBL10223344-(dipropylsulfamoyl)-benzoyl chloride4--(dipropylsulfamoyl)benzoyl chloride

Weitere Namen anzeigen

4-(dipropylsulfamoyl)benzoylchlorideN,N-Dipropyl-4-sulfamidobenzoyl chlorideN,N-DIPROPYL-4-SULPHAMIDOBENZOYL CHLORIDE4-(DIPROPYLAMINOSULFONYL)BENZOYL CHLORIDE4-(DI-N-PROPYLAMINOSULFONYL)BENZOYL CHLORIDE4-(Di-n-propylsulfaMoyl)benzoyl chloride, 96%4-[(Dipropylamino)sulfonyl]benzene-1-carbonyl chloride, Tech.

4-(Di-n-propylsulfamoyl)benzoyl chloride4-(N,N-Dipropylsulfamoyl)benzoylchloride4-(di-n-propylsulfamoyl) benzoyl chloride

Datenbank-Bezeichner

CAS: 29171-72-0
PubChem CID: 2735528
DTXSID: DTXSID80370773
EC Number: 679-401-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 62,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 7
Schwere Atome: 19
Formalladung: 0
Komplexität: 377

Physikochemische Eigenschaften

Schmelzpunkt: 62 · 62-63
Siedepunkt: 411.3 · 411.3±47.0 °C(Predicted)
Dichte: 1.227 · 1.227±0.06 g/cm3(Predicted)
pka: -5.62 · -5.62±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.