N-(4-Iodophenyl)acetamide

HCID 12147CAS 622-50-4

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)Nc1ccc(I)cc1
InChIKey: SIULLDWIXYYVCU-UHFFFAOYSA-N
Molecular formula: C8H8INO
Average molar mass: 261.06 g/mol
Monoisotopic mass: 260.96506188

Names & identifiers

Preferred name: N-(4-Iodophenyl)acetamide
IUPAC: N-(4-iodophenyl)acetamide
English name: N-(4-Iodophenyl)acetamide
Molecular formula: C8H8INO
Molecular weight: 261.06

Names & synonyms

N-(4-Iodophenyl)acetamide622-50-44-Iodoacetanilidep-IodoacetanilideAcetamide, N-(4-iodophenyl)-DTXSID7060752para-iodoacetanilideRefChem:524235DTXCID50432674'-IodoacetanilideACETANILIDE, 4'-IODO-MFCD00016352

Show more names

4’-iodo-acetanilidIodine acetanilide4'-Iodoacetanilide>4'-Iodoacetanilide,97%4-Iodoacetanilide 13C6Paracetamol Impurity 77

NSC 2161BRN 2085726AI3-238884'-Iodo-acetanilideMaybridge1_006480para-acetamino-iodo-benzeneWLN: IR DMV1N-(4-iodophenyl) acetamide

Database identifiers

CAS: 622-50-4
PubChem CID: 12147
DTXSID: DTXSID7060752
EC Number: 612-973-4
Nikkaji: J55.337I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 182 to · 182.0 to 187.0 °C
Boiling point: 180 °C · 180°C (rough estimate)
Density: 1.7396 · 1.7396 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
pka: 14.38 · 14.38±0.70(Predicted)
form: Powder
color: Bluish-gray to purple
Water Solubility: 182.7 mg/L · 182.7mg/L(25 ºC)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 4 · 4-Iodoacetanilide(622-50-4)
EPA Substance Registry System: Acetamide, N-(4-iodophenyl)- (622-50-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RTECS: 4285000 · AE4285000
TSCA: TSCA listed
HS Code: 29242998 · 29242998

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
rtecs: AE4285000
hs_code: 29242998
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313