4-Chloroacetanilide

Names

[ CAS No. ]:
539-03-7

[ Name ]:
4-Chloroacetanilide

[Synonym ]:
N-(4-Chlorophenyl)acetamide
4‘-Chloroacetanilide
EINECS 208-707-8
4'-chloroacetanilide
p-Chloroacetanilide
MFCD00000612
Acetamide, N-(4-chlorophenyl)-
Acetic acid 4-chloroanilide
4-Chloroacetanilide

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
335.0±25.0 °C at 760 mmHg

[ Melting Point ]:
176-178 °C(lit.)

[ Molecular Formula ]:
C₈H₈ClNO

[ Molecular Weight ]:
169.608

[ Flash Point ]:
156.4±23.2 °C

[ Exact Mass ]:
169.029449

[ PSA ]:
29.10000

[ LogP ]:
2.05

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.591

[ Water Solubility ]:
dioxane: 50 mg/mL hot, clear

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AE1001000

CHEMICAL NAME :: Acetanilide, 4'-chloro-

CAS REGISTRY NUMBER :: 539-03-7

BEILSTEIN REFERENCE NO. :: 0509638

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C8-H8-Cl-N-O

MOLECULAR WEIGHT :: 169.62

WISWESSER LINE NOTATION :: GR DMV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 245 mg/kg

TOXIC EFFECTS :: Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 730 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 2500 ug/plate

REFERENCE :: PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 10,174,1979

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AE1001000

[ HS Code ]:
2924299090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2924299090

[ Summary ]:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Development of EPA method 535 for the determination of chloroacetanilide and other acetamide herbicide degradates in drinking water by solid-phase extraction and liquid chromatography/tandem mass spectrometry.

J. AOAC Int. 89(1) , 201-9, (2006)

U.S. Environmental Protection Agency (EPA) Method 535 has been developed in order to provide a method for the analysis of "Alachlor ESA and other acetanilide degradation products," which are listed on...

Toxicology laboratory analysis and human exposure to p-chloroaniline.

Clin. Toxicol. (Phila.) 47(2) , 132-6, (2009)

p-Chloroaniline is more potent at producing methemoglobin than aniline in animal models. This case highlights the clinical presentation of an inhalation exposure to p-chloroaniline and associated labo...

Structural characterization and function determination of a nonspecific carboxylate esterase from the amidohydrolase superfamily with a promiscuous ability to hydrolyze methylphosphonate esters.

Biochemistry 53(21) , 3476-85, (2014)

The uncharacterized protein Rsp3690 from Rhodobacter sphaeroides is a member of the amidohydrolase superfamily of enzymes. In this investigation the gene for Rsp3690 was expressed in Escherichia coli ...