CAS 29171-72-0 4-(Dipropylsulfamoyl)benzoyl chloride (HCID 2735528)

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Basic information

CAS: 29171-72-0
Standard SMILES: CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIKey: LCQXGFTXKWEWQC-UHFFFAOYSA-N
Molecular formula: C13H18ClNO3S
Average molar mass: 303.81 g/mol
Monoisotopic mass: 303.0695923

Names & identifiers

Preferred name: 4-(Dipropylsulfamoyl)benzoyl chloride
IUPAC: 4-(dipropylsulfamoyl)benzoyl chloride
English name: 4-[(Dipropylamino)sulfonyl]benzene-1-carbonyl chloride
Molecular formula: C13H18ClNO3S
Molecular weight: 303.8

Names & synonyms

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

Show more names

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

Database identifiers

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 377

Physicochemical properties

Melting point: 62 · 62-63
Boiling point: 411.3 · 411.3±47.0 °C(Predicted)
Density: 1.227 · 1.227±0.06 g/cm3(Predicted)
pka: -5.62 · -5.62±0.70(Predicted)
Sensitive: Moisture Sensitive
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P303+P361+P353-P305+P351+P338-P310
Hazard Codes: C
RIDADR: 3261 · UN3261
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 5 items

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.