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598-77-6

Basic Information
CAS No.: 598-77-6
Name: 1,1,2-Trichloropropane
Molecular Structure:
Molecular Structure of 598-77-6 (1,1,2-Trichloropropane)
Formula: C3H5 Cl3
Molecular Weight: 147.432
Synonyms: 1,1,2-Trichloropropane
Density: 1.305g/cm3
Melting Point: -36.84°C (estimate)
Boiling Point: 125.3°Cat760mmHg
Flash Point: 44.3°C
Risk Codes: R20/21/22; R36/37/38
Safety: Moderately toxic by ingestion. Mildly toxic by inhalation and skin contact. A skin and severe eye irritant. When heated to decomposition it emits toxic fumes of Cl. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
PSA: 0.00000
LogP: 2.41740
Synthetic route
26198-63-0, 78-87-5

1,2-Dichloropropane

598-77-6

1,1,2-trichloropropane

Conditions
ConditionsYield
With aluminum (III) chloride; sulfuryl dichloride at 60℃; for 1h; Reagent/catalyst; Solvent; Inert atmosphere;33%
With chlorine im Sonnenlichte;
With antimonypentachloride
26198-63-0, 78-87-5

1,2-Dichloropropane

A

3175-23-3

1,2,2-trichloropropane

B

13116-60-4

1,1,2,2-tetrachloropropane

C

598-77-6

1,1,2-trichloropropane

D

96-18-4

1,2,3-trichloropropane

E

13116-53-5

1,2,2,3-tetrachloropropane

F

18495-30-2

1,1,2,3-tetrachloropropane

Conditions
ConditionsYield
With sulfuryl dichloride at 55 - 60℃;A 18%
B 13.2%
C 8.9%
D 20.3%
E 10.1%
F 15.6%
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) at 55 - 60℃;A 19.7%
B 17.8%
C 6.5%
D 14.8%
E 11.8%
F 15.6%
With sulfuryl dichloride at 55 - 60℃; Product distribution / selectivity;
With chlorine; dimethyl 2,2'-azobis(isobutyrate) In tetrachloromethane at 70℃; under 8517.48 Torr; for 32h; Product distribution / selectivity; Inert atmosphere;
598-77-6

1,1,2-trichloropropane

Conditions
ConditionsYield
With chlorine at 52 - 65℃; im Dunkeln;
26198-63-0, 78-87-5

1,2-Dichloropropane

A

598-77-6

1,1,2-trichloropropane

B

96-18-4

1,2,3-trichloropropane

Conditions
ConditionsYield
With Iodine monochloride at 160℃;
With iron(III) chloride; chlorine at 100℃; under 7224.57 Torr; for 5h; Product distribution / selectivity; Inert atmosphere;
With aluminum (III) chloride; sulfuryl dichloride; iodine at 55 - 60℃; Reagent/catalyst;
With aluminum (III) chloride; sulfuryl dichloride at 55 - 60℃; for 0.5h;
With aluminum (III) chloride; chlorine In tetrachloromethane at 60℃; for 1h; Inert atmosphere; Overall yield = 22 %;
540-54-5

1-Chloropropane

598-77-6

1,1,2-trichloropropane

Conditions
ConditionsYield
With chlorine
With antimonypentachloride
78-99-9

1,1-dichloropropane

598-77-6

1,1,2-trichloropropane

Conditions
ConditionsYield
With chlorine im Sonnenlichte;
With chlorine
With antimonypentachloride
26198-63-0, 78-87-5

1,2-Dichloropropane

7647-18-9

antimonypentachloride

598-77-6

1,1,2-trichloropropane

67-66-3

chloroform

78-99-9

1,1-dichloropropane

7647-18-9

antimonypentachloride

598-77-6

1,1,2-trichloropropane

26198-63-0, 78-87-5

1,2-Dichloropropane

7782-50-5

chlorine

iron

iron

598-77-6

1,1,2-trichloropropane

Conditions
ConditionsYield
bei Siedetemperatur; 1.2-dichloro-propane;
7446-70-0

aluminium trichloride

26198-63-0, 78-87-5

1,2-Dichloropropane

7782-50-5

chlorine

A

3175-23-3

1,2,2-trichloropropane

B

598-77-6

1,1,2-trichloropropane

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Chemistry

IUPAC Name: 1,1,2-Trichloropropane
Synonyms: 1,1,2-Trichloropropane ;propane, 1,1,2-trichloro-
CAS NO:598-77-6
Molecular Formula of 1,1,2-Trichloropropane(CAS NO.598-77-6):C3H5Cl3
Molecular Weight of 1,1,2-Trichloropropane(CAS NO.598-77-6):147.43
Molecular Structure of 1,1,2-Trichloropropane(CAS NO.598-77-6):
EINECS: 209-951-8
Index of Refraction:1.45
Surface Tension: 28.7 dyne/cm
Density: 1.305 g/cm3
Flash Point: 44.3 °C
Enthalpy of Vaporization: 34.82 kJ/mol
Boiling Point: 125.3 °C at 760 mmHg
Vapour Pressure: 14.8 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 14100uL/kg (14.1mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LC50 inhalation 2000ppm/4H (2000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 1230mg/kg (1230mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. Mildly toxic by inhalation and skin contact. A skin and severe eye irritant. When heated to decomposition it emits toxic fumes of Cl. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
Risk Statements 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RTECS TZ8925000