Methanesulfonamide, N-[4-(2-chloroacetyl)phenyl]-

HCID 116629

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Basic information

CAS: 64488-52-4
Standard SMILES: CS(=O)(=O)Nc1ccc(C(=O)CCl)cc1
InChIKey: DRQKKEYKSSAVTO-UHFFFAOYSA-N
Molecular formula: C9H10ClNO3S
Average molar mass: 247.7 g/mol
Monoisotopic mass: 247.00699186

Names & identifiers

Preferred name: Methanesulfonamide, N-[4-(2-chloroacetyl)phenyl]-
IUPAC: N-[4-(2-chloroacetyl)phenyl]methanesulfonamide
English name: N-[4-(2-Chloroacetyl)phenyl]methanesulfonamide
Molecular formula: C9H10ClNO3S
Molecular weight: 247.7

Names & synonyms

64488-52-4N-[4-(2-chloroacetyl)phenyl]methanesulfonamideN-(4-(2-Chloroacetyl)phenyl)methanesulfonamideMethanesulfonamide, N-[4-(chloroacetyl)phenyl]-N-(p-Chloroacetylphenyl)methanesulfonamideDTXSID0070102EC 613-606-0Methanesulfonamide, N-(4-(chloroacetyl)phenyl)-Methanesulfonamide, N-(4-(2-chloroacetyl)phenyl)-Methanesulfonamide, N-[4-(2-chloroacetyl)phenyl]-RefChem:156927DTXCID4044321

Show more names

4CAMS4-(Chloroacetyl)-Methylsulphonanilide4-(2-CHLOROACETYL)-METHANESULFONANILIDE4-(2-CHLORACETYL) METHANE SULFONANILIDEN-(4-Chloroacetylphenyl)-methanesulfonamide4-Cams 4-(2-Chloroacetyl)-Methanesulfonanilide4-(2-ChloroAcetyl)Methanesulfonanilide (4-CAMS)

4-(2-Chloroacetyl) methane sulfonanilide613-606-0MFCD00144999N-[4-(chloroacetyl)phenyl]methanesulfonamideN-(4-CHLOROACETYLPHENYL)METHANESULFONAMIDEFVM3LSR9YAN-[4-(2-chloro-1-oxoethyl)phenyl]methanesulfonamideSCHEMBL3875386

Database identifiers

CAS: 64488-52-4
PubChem CID: 116629
DTXSID: DTXSID0070102
UNII: FVM3LSR9YA
EC Number: 613-606-0
Nikkaji: J453.269D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 315

Physicochemical properties

Melting point: 197.5 · 197.5-199.0 °C
Boiling point: 410.4 · 410.4±51.0 °C(Predicted)
Density: 1.433 · 1.433±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 6.94 · 6.94±0.10(Predicted)
CAS DataBase Reference: 64488 · 64488-52-4(CAS DataBase Reference)
EPA Substance Registry System: 4 · Methanesulfonamide, N-[4-(chloroacetyl)phenyl]- (64488-52-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed
HazardClass: IRRITANT
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.