Diisopropylammonium dichloroacetate

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Names

[ CAS No. ]:
660-27-5

[ Name ]:
Diisopropylammonium dichloroacetate

[Synonym ]:
Acetic acid, 2,2-dichloro-, compd. with N-(1-methylethyl)-2-propanamine (1:1)
2,2-dichloroacetic acid,N-propan-2-ylpropan-2-amine
Dichloroacetic acid - N-isopropyl-2-propanamine (1:1)
Dichloroacetic acid - N-isopropylpropan-2-amine (1:1)

Chemical & Physical Properties

[ Boiling Point ]:
83.9ºC at 760 mmHg

[ Melting Point ]:
295ºC (dec.)(lit.)

[ Molecular Formula ]:
C₈H₁₇Cl₂NO₂

[ Molecular Weight ]:
230.132

[ Flash Point ]:
290ºC

[ Exact Mass ]:
229.063629

[ PSA ]:
49.33000

[ LogP ]:
2.65840

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AG6475000

CAS REGISTRY NUMBER :: 660-27-5

LAST UPDATED :: 199701

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C6-H15-N.C2-H2-Cl2-O2

MOLECULAR WEIGHT :: 230.16

WISWESSER LINE NOTATION :: 1Y&MY &621

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 :: 840 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1700 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1330 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 235 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes

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

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1800 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 :: 10 ug/plate

REFERENCE :: NUCADQ Nutrition and Cancer. (Franklin Institute Press, POB 2266, Phildelphia, PA 19103) V.1- 1978- Volume(issue)/page/year: 3,129,1982

Safety Information

[ Hazard Codes ]:
Xi

[ RIDADR ]:
UN 1789 8

[ HS Code ]:
2921199090

Customs

[ HS Code ]: 2921199090

[ Summary ]:
2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

diisopropylammonium 2-(p-chlorophenoxy)-2-methylpropionate
diisopropylammonium diisopropylcarbamate
diisopropylammonium bis(2-phenylethyl)diselenophosphinate
diisopropylammonium trifluoromethanesulfonate
POTASSIUM DICHLOROACETATE
PENTACHLOROPHENYL DICHLOROACETATE
N-[1-(2-aminoethyl)piperidin-4-yl]propane-1-sulfonamide
6-Methyl-2-[(pent-1-yn-3-yl)amino]pyrimidine-4-carboxylic acid
Ethyl 4-(2-methylpyrrolidin-1-yl)butanoate
3-[(Pent-1-yn-3-yl)amino]pyrazine-2-carboxylic acid
2-[4-(Trifluoromethyl)pyrazol-1-yl]ethanol
2-[(Hex-1-yn-3-yl)amino]pyrimidine-4-carboxylic acid
N-Isopropyl-2-(3-methoxyphenyl)acetamide
3-[(Hex-1-yn-3-yl)amino]pyrazine-2-carboxylic acid
1-{[4-(Dimethylamino)piperidin-1-yl]methyl}cyclohexan-1-ol
Araliasaponin VI

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