N-(p-acetylphenyl)acetamide

HCID 75937

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Basic information

CAS: 2719-21-3
Standard SMILES: CC(=O)Nc1ccc(C(C)=O)cc1
InChIKey: WECHHDJTILFYQT-UHFFFAOYSA-N
Molecular formula: C10H11NO2
Average molar mass: 177.2 g/mol
Monoisotopic mass: 177.07897859

Names & identifiers

Preferred name: N-(p-acetylphenyl)acetamide
IUPAC: N-(4-acetylphenyl)acetamide
English name: 4'-Acetamidoacetophenone
Molecular formula: C10H11NO2
Molecular weight: 177.2

Names & synonyms

N-(p-Acetylphenyl)acetamideAcetamide, N-(4-acetylphenyl)-AI3-17739EINECS 220-320-6NSC 39449DTXSID10181657RefChem:828531DTXCID50104148220-320-6N-(4-Acetylphenyl)acetamide2719-21-34'-Acetamidoacetophenone

Show more names

n,4-diacetylanilineAcetanilide,4’-acetyl-P-ACETAMINOACETOPHENONE4'-ACETAMIDOACETOPHENONE25

4-Acetamidoacetophenone4-Acetylacetanilide4'-Acetylacetanilidep-acetamidoacetophenone150667-24-6p-AcetylaminoacetophenoneMFCD00014965N-(4-Acetyl-phenyl)-acetamide

Database identifiers

CAS: 2719-21-3
PubChem CID: 75937
DTXSID: DTXSID10181657
ChEMBL: CHEMBL3408645
UNII: YV24XB4VZ5
EC Number: 220-320-6
Nikkaji: J28.820I

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 205

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 166 · 166-170 °C(lit.)
Boiling point: 390.3 · 390.3±25.0 °C(Predicted)
Density: 1.15 · 1.150±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 14.59 · 14.59±0.70(Predicted)
form: Crystalline Powder
color: Beige
λmax: 284 nm · 284nm(CHCl3)(lit.)
BRN: 639749 · 639749
InChI: 1S/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
InChIKey: WECHHDJTILFYQT-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(cc1)C(C)=O
CAS DataBase Reference: 2719 · 2719-21-3(CAS DataBase Reference)
FDA UNII: 24 XB4VZ5 · YV24XB4VZ5
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H317-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P280-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi
Risk Statements: 43 · 43
Safety Statements: 37 · 37/39
WGK Germany: 2 · 2
Hazard Note: Irritant
HS Code: 29242998 · 29242998
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (13.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 2
hs_code: 29242998
risk_code: 43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H317-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P280-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313