4'-氯乙酰苯胺

Description

4'-Chloroacetanilide · CAS 539-03-7 · C8H8ClNO. UNII 6I0LI34G5J. Boiling Point: 333 °C; Melting Point: 178-179 °C; Density: 1.385 AT 22 °C/4 °C.

Identification

CAS Registry Number	539-03-7
PubChem CID	10871
Molecular formula	C8H8ClNO
IUPAC name	N-(4-chlorophenyl)acetamide
UNII (FDA)	6I0LI34G5J

Computed Descriptors

Molecular Weight	169.61
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	169.0294416
Monoisotopic Mass	169.0294416
Topological Polar Surface Area	29.1
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	333 °C
Melting Point	178-179 °C
Density	1.385 AT 22 °C/4 °C
Vapor Pressure	0.0000963 [mmHg]
LogP	Log Kow = 2.12
LogP	1.87

Physical description & handling notes

• Solid; [HSDB] White or light brown powder; [Alfa Aesar MSDS]
• ORTHORHOMBIC CRYSTALS FROM AQ GLACIAL ACETIC ACID, ALCOHOL, OR ACETONE
• PRACTICALLY INSOL IN /COLD/ WATER; READILY SOL IN ALC, ETHER; READILY SOL IN CARBON DISULFIDE; SLIGHTLY SOL IN CARBON TETRACHLORIDE, BENZENE
• SOL IN HOT WATER

GHS Hazard Classification

Reported hazard statements	H315 (98%), H319 (98%), H335 (95.9%)

Documented Uses

• A soil bacteria metabolite of 4-chloroaniline and contaminant of phenacetin; Used as research chemical; Not commercially produced in the US; [HSDB]
• REACTION OF P-CHLOROANILINE AND ACETIC ANHYDRIDE
• Preparation of m-, o-, and p-isomers.
• (1977) NOT PRODUCED COMMERCIALLY IN US
• (1979) NOT PRODUCED COMMERCIALLY IN US
• Acetamide, N-(4-chlorophenyl)-: ACTIVE

Synonyms

4'-Chloroacetanilide; N-(4-Chlorophenyl)acetamide; 539-03-7; 4-Chloroacetanilide; P-CHLOROACETANILIDE; N-(p-Chlorophenyl)acetamide; N-Acetyl-p-chloroaniline; Acetamide, N-(4-chlorophenyl)-; Acetanilide, 4'-chloro-; Acetic-4-chloroanilide; NSC-444; 6I0LI34G5J; Acetic acid, amide, N(4-chlorophenyl)-; NSC-40563; DTXSID0060228; CHEBI:116915

Frequently Asked Questions

What are the CAS number and molecular formula of 4'-Chloroacetanilide?

CAS 539-03-7; molecular formula C8H8ClNO; molecular weight — g/mol.

What other names is 4'-Chloroacetanilide known by?

4'-Chloroacetanilide, N-(4-Chlorophenyl)acetamide, 539-03-7, 4-Chloroacetanilide, P-CHLOROACETANILIDE, N-(p-Chlorophenyl)acetamide.

Is 4'-Chloroacetanilide classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of 4'-Chloroacetanilide?

Boiling Point: 333 °C; Melting Point: 178-179 °C; Density: 1.385 AT 22 °C/4 °C; Vapor Pressure: 0.0000963 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.