2,2,2-Trichloroacetamide

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Names

[ CAS No. ]:
594-65-0

[ Name ]:
2,2,2-Trichloroacetamide

[Synonym ]:
Acetamide, 2,2,2-trichloro-
TRICHLOROACETAMIDE
2,2,2-Trichloroacetamide
3,3,3-trichloroacetamide
chloraloxime
2,2,13,13-TETRAMETHYL-4,7,11-TRIOXO-3,12-DIOXA-5,8-DIAZATETRADECANE-6-CARBOXYLIC ACID
2,2,2-Chloroacetamide
a,a,a-Trichloroacetamide
trichloro-acetic acid amide
2,2,2-Trichloroaceta
trichloroacetyl amide
MFCD00008009
EINECS 209-849-3
2,2,2-trichloro-acetamid
Trichloroacetaldoxime
2,2,2-trichloro-acetamide
Trichloroacetimidic acid

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
239.0±0.0 °C at 760 mmHg

[ Melting Point ]:
139-141 °C(lit.)

[ Molecular Formula ]:
C2H2Cl3NO

[ Molecular Weight ]:
162.402

[ Flash Point ]:
88.5±25.9 °C

[ Exact Mass ]:
160.920197

[ PSA ]:
43.09000

[ LogP ]:
1.15

[ Vapour Pressure ]:
0.0±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.521

[ Stability ]:
Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.

[ Water Solubility ]:
13 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AC9275000
CHEMICAL NAME :
Acetamide, 2,2,2-trichloro-
CAS REGISTRY NUMBER :
594-65-0
BEILSTEIN REFERENCE NO. :
1754028
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C2-H2-Cl3-N-O
MOLECULAR WEIGHT :
162.40
WISWESSER LINE NOTATION :
ZVXGGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 90,260,1947
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 63,1437,1941
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04129 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1039 No. of Facilities: 16 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 262 (estimated) No. of Female Employees: 82 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H319

[ Precautionary Statements ]:
P305 + P351 + P338

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S36/37-S45-S37/39-S26

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
AC9275000

[ Hazard Class ]:
6.1

[ HS Code ]:
29241900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • tert-Butyl 2,2,2-trichloroacetimidate
  • Koshland's Reagent 1
  • (S)-3-methyl-2-(2-nitro-ethyl)-butan-1-ol
  • Benzyl 2,2,2-trichloroacetimidate
  • β-​D-​Glucopyranose, 2-​amino-​2-​deoxy-​, hydrochloride (1:1)
  • Trichloroacetyl chloride
  • Trichloroacetonitrile
  • 2-Indoethanol

DownStream

  • Methyl trichloroacetate
  • Acetamide,2,2,2-trichloro-N-(2,2,2-trichloro-1-hydroxyethyl)-
  • 2,2,2-trichloro-N-dichlorophosphorylethanimidoyl chloride
  • 2,2,2-trichloro-N-[(2,2,2-trichloroacetyl)sulfamoyl]acetamide
  • Dichloroacetonitrile
  • Dichloroacetamide
  • Thiophene,1,1,2,3,4,5-hexahydro-1-[(trichloroacetyl)imino]- (8CI,9CI)
  • Trichloroacetonitrile
  • N-HYDROXYMETHYLTRICHLOROACETAMIDE
  • N-bromo-2,2,2-trichloroacetamide

Customs

[ HS Code ]: 2924199090

[ Summary ]:
2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Related Compounds

  • 2,2,2-trichloroacetamide-15N
  • benzyl 2,2,2-trichloroacetamide
  • N-butyl-2,2,2-trichloroacetamide
  • N-bromo-2,2,2-trichloroacetamide
  • N-Allyl-2,2,2-trichloroacetamide
  • N-Pentyl-2,2,2-trichloroacetamide
  • 4-(5-Methyl-4-pyrimidinyl)-3-pyridinamine
  • (3-Bromo-4-methylphenyl)methanesulfonamide
  • 8-(3-Aminophenyl)-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
  • Methyl (2-chloro-4-cyano-5-fluorophenyl)acetate
  • (1R)-2,2,2-trifluoro-1-[4-(morpholin-4-yl)phenyl]ethan-1-ol
  • XQ8XH2Pdt6
  • 3-Amino-1-[6-(pyrrolidin-1-yl)pyridin-3-yl]propan-1-one
  • 5-(1-aminocyclohexyl)-N,N-dimethylpyridin-2-amine
  • 5-[1-(aminomethyl)cyclopentyl]-N,N-dimethylpyridin-2-amine
  • 2-methyl-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-amine
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