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660-27-5

Basic Information
CAS No.: 660-27-5
Name: Diisopropylammonium dichloroacetate
Article Data: 3
Molecular Structure:
Molecular Structure of 660-27-5 (Diisopropylammonium dichloroacetate)
Formula: C6H15N.C2H2Cl2O2
Molecular Weight: 230.134
Synonyms: Disotat;Krino B 15;DIPA;Diisopropylamine, compd. with dichloroacetic acid (1:1);Dedyl;Diisopropylamine dichloroacetate (JAN);Dapocel;Dicloroacetic acid diisopropylammonium salt;Kalodil;Dichloroacetato di diisopropilammonio [Italian];Cubisol;Dipromonium;Tensicor;Dichloroacetic acid, diisopropylamine salt;Acetic acid,dichloro-,compounds,compd. with N-(1-methylethyl)-2-propanamine (1:1);
EINECS: 211-538-2
Melting Point: 295oC (dec.)(lit.)
Boiling Point: 83.9 °C at 760 mmHg
Flash Point: 132.8 °C
Appearance: COA
PSA: 49.33000
LogP: 2.65840
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  • Diisopropylamine Dichloroacetate cas no. 660-27-5 98%

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Chemistry


IUPAC Name: 2,2-Dichloroacetic acid ; N-propan-2-ylpropan-2-amine
Molecular Weight: 230.13208 [g/mol]
Molecular Formula: C8H17Cl2NO2
H-Bond Donor: 2
H-Bond Acceptor: 3 
EINECS: 211-538-2 
Flash Point: 132.8 °C
Enthalpy of Vaporization: 30.4 kJ/mol
Boiling Point: 83.9 °C at 760 mmHg
Vapour Pressure: 74 mmHg at 25 °C 
Solubility: 1 M HCl: 0.1 g/mL at 20 °C, clear in water
Melting Point: 295 °C
Classification Code of Diisopropylamine dichloroacetate (CAS NO.660-27-5): Mutation data

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1800mg/kg (1800mg/kg)   Therapie. Vol. 16, Pg. 136, 1961.
mouse LD50 intraperitoneal 750mg/kg (750mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Bollettino Chimico Farmaceutico. Vol. 97, Pg. 608, 1958.
mouse LD50 intravenous 235mg/kg (235mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 109, 1963.
mouse LD50 oral 1700mg/kg (1700mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 109, 1963.
mouse LD50 subcutaneous 1330mg/kg (1330mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 109, 1963.
rat LD50 intraperitoneal 840mg/kg (840mg/kg)   Therapie. Vol. 16, Pg. 136, 1961.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intraperitoneal, subcutaneous, and ingestion routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl, NH3, and NOx.

Specification

  Diisopropylamine dichloroacetate (CAS NO.660-27-5), its Synonyms are Dapocel ; Dedyl ; Dichloroacetato di diisopropilammonio ; Dichloroacetic acid, diisopropylamine salt ; Diisopropylammonium dichloroacetate ; Diisopropylammonium dichloroethanoate ; Dipromonium ; Disotat ; Kalodil ; Krino B 15 ; Oxypangam ; Tensicor ; Vasculopatina ; beta-Anoxin .