N-[4-(Chloracetyl)phenyl]acetamid

nci-c03770 · TIMTEC-BB SBB003430 · 4-CHLOROACETYL ACETANILIDE · p-acetamidophenacylchloride · 4’-(chloroacetyl)-acetanilid · P-(2-CHLOROACETYL)ACETANILIDE · 4-(2-CHLOROACETYL)ACETANILIDE · 4'-(Chloroacetyl)-acetanilide

https://huagongshe.com/de/chemical/8805

Molekülstruktur von N-[4-(Chloracetyl)phenyl]acetamid

Identifikatoren & physikalische Daten

CAS No.	140-49-8
Summenformel	C10H10ClNO2
Durchschnittliche Molmasse	211,64 g/mol
Monoisotopische Masse	211,0400063 g/mol
SMILES	CC(=O)Nc1ccc(C(=O)CCl)cc1
InChIKey	VMMDOCYDNRLESP-UHFFFAOYSA-N
PubChem CID	8805
ChEMBL	CHEMBL1408847
ChEBI	CHEBI:76355
EC No.	205-416-8
DTXSID	DTXSID4020294
Lokaler Name	N-[4-(Chloracetyl)phenyl]acetamid

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	46,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	14
Formalladung	0
Komplexität	222
Dichte	1.348 (NTP, 1992) - Denser than waterwill sink1.2414 (rough estimate)
Löslichkeit	less than 1 mg/mL at 66 °F (NTP, 1992)<0.1 g/100 mL at 19 ºC
Flammpunkt	230 °F (NTP, 1992)110 °C
Siedepunkt	Decomposes (NTP, 1992)303°C (rough estimate)
Schmelzpunkt	410.7 to 414.3 °F (NTP, 1992)216-219 °C(lit.)
Dampfdruck	less than 0.011 mmHg at 68 °F (NTP, 1992)
Physical Description	4'-(chloroacetyl)acetanilide appears as odorless yellow-orange solid or brown powder. (NTP, 1992)Yellow-orange or brown odorless solid[CAMEO] Beige powder[Aldrich MSDS]
Collision Cross Section	144.9 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID4020294]
Brechungsindex	1.5500 (estimate)
pKa (Säurekonstante)	14.46±0.70(Predicted)
CAS Datenbank	140-49-8(CAS DataBase Reference)
EPA chemische Informationen	4'-(Chloroacetyl)acetanilide (140-49-8)

Sicherheit & Vorschriften

Air and Water Reactions
GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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.
Brandgefahren	This compound is combustible. (NTP, 1992)
Gesundheitsgefahren	SYMPTOMS: Symptoms of exposure to this compound may include methemoglobinemia.ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of chlorine and nitrogen oxides. It may also emit toxic fumes of aniline, cyanides and phosgene. (NTP, 1992)
Gefahrenübersicht	May induce methemoglobinemia[CAMEO] No evidence of carcinogenicity in rats or mice[NTP] An irritant[Aldrich MSDS]
Reaktive Gruppe	Amides and ImidesHalogenated Organic CompoundsKetonesAmines, Aromatic
Special Reports	DHEW/NCIBioassay of 4'-(Chloroacetyl)-acetanilide for Possible Carcinogenicity (1979) Technical Rpt Series No. 177 DHEW Pub No. (NIH) 79-1733
Reactivity Profile	4'-(CHLOROACETYL)ACETANILIDE reacts with oxidizers. (NTP, 1992)