Isopral supplier | CasNO.76-00-6

Name
1,1,1-TRICHLORO-2-PROPANOL
EINECS
CAS No. 76-00-6
Article Data20
CAS DataBase
Density 1.483g/cm³
Solubility
Melting Point 50.5°C
Formula C₃H₅Cl₃O
Boiling Point 164.7°Cat760mmHg
Molecular Weight 163.431
Flash Point 82.2°C
Transport Information
Appearance
Safety Moderately toxic by subcutaneous route. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S. and CHLORINATED HYDROCARBONS, ALIPHATIC.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2,2-Trichloro-1-methylethanol;2-Propanol,1,1,1-trichloro;1,1,1-Trichlor-propan-2-ol;1,1,1-Trichloro-2-propanol;1,1,1-trichloro-propan-2-ol;2-Propanol, 1,1,1-trichloro-;Isopral;1,1,1-Trichloroisopropyl alcohol;Trichloroisopropanol;Trichloro-2-propanol;EINECS 200-924-6;
PSA 20.23000
LogP 1.73740

Isopral Chemical Properties

Molecule structure of Isopral (CAS NO.76-00-6) :

IUPAC Name: 1,1,1-trichloropropan-2-ol
Molecular Weight: 163.4302 g/mol
Molecular Formula: C₃H₅Cl₃O
Density: 1.483 g/cm³
Boiling Point: 164.7 °C at 760 mmHg
Flash Point: 82.2 °C
Index of Refraction: 1.492
Molar Refractivity: 31.95 cm³
Molar Volume: 110.1 cm³
Polarizability: 12.66×10^-24 cm³
Surface Tension: 39.4 dyne/cm
Enthalpy of Vaporization: 46.72 kJ/mol
Vapour Pressure: 0.655 mmHg at 25 °C
XLogP3-AA: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Exact Mass: 161.940598
MonoIsotopic Mass: 161.940598
Topological Polar Surface Area: 20.2
Heavy Atom Count: 7
Complexity: 57.7
Canonical SMILES: CC(C(Cl)(Cl)Cl)O
InChI: InChI=1S/C3H5Cl3O/c1-2(7)3(4,5)6/h2,7H,1H3
InChIKey: HCMBPASAOZIEDZ-UHFFFAOYSA-N
EINECS of Isopral (CAS NO.76-00-6) : 200-924-6

Isopral Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	unreported	90mg/kg (90mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
dog	LDLo	unreported	93mg/kg (93mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
frog	LDLo	unreported	143mg/kg (143mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
mouse	LDLo	subcutaneous	500mg/kg (500mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	"Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933Vol. -, Pg. -, 1933.
rabbit	LDLo	unreported	200mg/kg (200mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat	LD50	oral	1gm/kg (1000mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 183, 1938.

Isopral Safety Profile

Moderately toxic by subcutaneous route. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S. and CHLORINATED HYDROCARBONS, ALIPHATIC.

Isopral Specification

Isopral (CAS NO.76-00-6) is also called 1,1,1-Trichloro-2-propanol ; 1,1,1-Trichloroisopropyl alcohol ; 2,2,2-Trichloro-1-methylethanol ; 3-01-00-01474 (Beilstein Handbook Reference) ; BRN 1734805 ; NSC 136556 ; Trichloro-2-propanol ; Trichloroisopropanol ; 1,1,1-Trichloropropan-2-ol ; 2-Propanol, 1,1,1-trichloro- .

Product Name

1,1,1-TRICHLORO-2-PROPANOL

Isopral Chemical Properties

Isopral Toxicity Data With Reference

Isopral Safety Profile

Isopral Specification

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