598-77-6

Basic information

• Product Name: 1,1,2-TRICHLOROPROPANE
• Synonyms: (R,S)-1,1,2-trichloropropane;(R,S)-1,1,2-trichloro-propane;(R,S)-propane,1,1,2-trichloro-;1,1,2-trichloro-propan;Propane, 1,1,2-trichloro-;Propane,1,1,2-trichloro-;2-CHLOROPROPYLIDENE CHLORIDE;1,1,2-TRICHLOROPROPANE
• CAS NO: 598-77-6
• Molecular Formula: C₃H₅Cl₃
• Molecular Weight: 147.43
• EINECS: 209-951-8
• Mol File: 598-77-6.mol

Chemical Properties

• Melting Point: -36.84°C (estimate)
• Boiling Point: 133 °C
• Flash Point: 44.3°C
• Appearance: /
• Density: 1.35
• Vapor Pressure: 14.8mmHg at 25°C
• Refractive Index: 1.4670-1.4700
• CAS DataBase Reference: 1,1,2-TRICHLOROPROPANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,2-TRICHLOROPROPANE(598-77-6)
• EPA Substance Registry System: 1,1,2-TRICHLOROPROPANE(598-77-6)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 1993
• RTECS: TZ8925000
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 598-77-6(Hazardous Substances Data)

Usage

Safety Profile

Moderately toxic by ingestion.Mildly toxic by inhalation and skin contact. A skin andsevere eye irritant. When heated to decomposition it emitstoxic fumes of Clí.

InChI:InChI=1/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3

Synthetic route

1,2-Dichloropropane (26198-63-0, 78-87-5) → 1,1,2-trichloropropane (598-77-6)

Conditions	Yield
With aluminum (III) chloride; sulfuryl dichloride at 60℃; for 1h; Reagent/catalyst; Solvent; Inert atmosphere;	33%
With chlorine im Sonnenlichte;
With antimonypentachloride

1,2-Dichloropropane (26198-63-0, 78-87-5) → 1,2,2-trichloropropane (3175-23-3) + 1,1,2,2-tetrachloropropane (13116-60-4) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4) + 1,2,2,3-tetrachloropropane (13116-53-5) + 1,1,2,3-tetrachloropropane (18495-30-2)

Conditions	Yield
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;

propene (187737-37-7) → 1,1,2-trichloropropane (598-77-6)

Conditions	Yield
With chlorine at 52 - 65℃; im Dunkeln;

1,2-Dichloropropane (26198-63-0, 78-87-5) → 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4)

Conditions	Yield
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 %;

1-Chloropropane (540-54-5) → 1,1,2-trichloropropane (598-77-6)

Conditions	Yield
With chlorine
With antimonypentachloride

1,1-dichloropropane (78-99-9) → 1,1,2-trichloropropane (598-77-6)

Conditions	Yield
With chlorine im Sonnenlichte;
With chlorine
With antimonypentachloride

1,2-Dichloropropane (26198-63-0, 78-87-5) + antimonypentachloride (7647-18-9) → 1,1,2-trichloropropane (598-77-6)

chloroform (67-66-3) + 1,1-dichloropropane (78-99-9) + antimonypentachloride (7647-18-9) → 1,1,2-trichloropropane (598-77-6)

1,2-Dichloropropane (26198-63-0, 78-87-5) + chlorine (7782-50-5) + iron → 1,1,2-trichloropropane (598-77-6)

Conditions	Yield
bei Siedetemperatur; 1.2-dichloro-propane;

aluminium trichloride (7446-70-0) + 1,2-Dichloropropane (26198-63-0, 78-87-5) + chlorine (7782-50-5) → 1,2,2-trichloropropane (3175-23-3) + 1,1,2-trichloropropane (598-77-6)

propene (187737-37-7) + chlorine (7782-50-5) + iron → 1,2,2-trichloropropane (3175-23-3) + 1,2-Dichloropropane (26198-63-0, 78-87-5) + 1,1,2-trichloropropane (598-77-6)

1,2-Dichloropropane (26198-63-0, 78-87-5) + chlorine (7782-50-5) + iron → 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4)

Conditions	Yield
at 50 - 55℃; im UV-Licht.Irradiation; 1.2-dichloro-propane;

sulfuryl dichloride (7791-25-5) + 1,2-Dichloropropane (26198-63-0, 78-87-5) + dilauryl peroxide (105-74-8) → 1,2,2-trichloropropane (3175-23-3) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4)

Conditions	Yield
Product distribution; 1.2-dichloro-propane;

sulfuryl dichloride (7791-25-5) + 1,2-Dichloropropane (26198-63-0, 78-87-5) + dibenzoyl peroxide (94-36-0) → 1,2,2-trichloropropane (3175-23-3) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4)

Conditions	Yield
Product distribution; 1.2-dichloro-propane;

propene (187737-37-7) + chlorine (7782-50-5) → 1,2,2-trichloropropane (3175-23-3) + 1,2-Dichloropropane (26198-63-0, 78-87-5) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4)

Conditions	Yield
at 52 - 66℃; in Gegenwart von fluessigen Anteilen des Reaktionsprodukts; aus 3 Mol Propylen und l Mol Chlor im Dunkeln;

propene (187737-37-7) + chlorine (7782-50-5) + aqueous KOH → 1,2,2-trichloropropane (3175-23-3) + 1,2-Dichloropropane (26198-63-0, 78-87-5) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4)

Conditions	Yield
at 52 - 66℃; aus 3 Mol Propylen und l Mol Chlor im Dunkeln;

propene (187737-37-7) + chlorine (7782-50-5) + iodo-KI → 1,2,2-trichloropropane (3175-23-3) + 1,2-Dichloropropane (26198-63-0, 78-87-5) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4)

Conditions	Yield
at 52 - 66℃; aus 3 Mol Propylen und l Mol Chlor im Dunkeln;

1,3-Dichloropropane (142-28-9) + 1-chloro-3-hydroxypropane (627-30-5) → glycidyl methyl ether (930-37-0) + 1,2-Epoxyhexane (1436-34-6) + 2,3-Dichloroprop-1-ene (78-88-6) + 2-chloroallyl alcohol (5976-47-6) + 1,2,2-trichloropropane (3175-23-3) + 1,2-Dichloropropane (26198-63-0, 78-87-5) + (Z)-1,3-dichloropropene (10061-01-5) + 1,2,3-trichloro-1-propene (13116-58-0) + (1Z)-1,2,3-trichloroprop-1-ene (96-19-5, 13116-58-0, 13116-57-9) + 1,3,3-trichloro-propene (2953-50-6) + 1t,3,3-trichloro-propene (2598-01-8) + chlorodibromomethane (124-48-1) + 1,1,2-trichloropropane (598-77-6) + 2,3-Dichloro-1-propanol (616-23-9) + 1,3-Dichloro-2-propanol (96-23-1) + 1,2,3-trichloropropane (96-18-4) + 3,3-dichloropropene (563-57-5) + 3,3-dichloroallyl chloride (2567-14-8) + acetaldehyde (75-07-0) + allyl alcohol (107-18-6) + hydroxy-2-propanone (116-09-6) + chloroacetone (78-95-5) + cyclopentanone (120-92-3) + chlorobenzene (108-90-7) + isopropyl alcohol (67-63-0) + 3-monochloro-1,2-propanediol (96-24-2) + acrolein (107-02-8) + epichlorohydrin (106-89-8) + (E)-1,3-dichloro-prop-1-ene (10061-02-6)

Conditions	Yield
With sodium hydroxide; water at 45 - 62.4℃; under 112.511 - 750.075 Torr; Product distribution / selectivity;

...Expand

1,2-Dichloropropane (26198-63-0, 78-87-5) → 1,2,2-trichloropropane (3175-23-3) + 1,1,2,2-tetrachloropropane (13116-60-4) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4) + 1,2,2,3-tetrachloropropane (13116-53-5) + 1,1,2,3-tetrachloropropane (18495-30-2) + 1,1,2,3,3-pentachloropropane (15104-61-7)

Conditions	Yield
With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile) at 55 - 60℃;

1,2-Dichloropropane (26198-63-0, 78-87-5) → 1,2,2-trichloropropane (3175-23-3) + 1,1,2,2-tetrachloropropane (13116-60-4) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4) + 1,1,2,3-tetrachloropropane (18495-30-2)

Conditions	Yield
With chlorine; 2,2'-azobis-(2,4-dimethylvaleronitrile) In tetrachloromethane at 70℃; under 6723.1 Torr; for 3.26667h; Product distribution / selectivity; Inert atmosphere;

isopropyl chloride (75-29-6) → 1,1,2-trichloropropane (598-77-6)

Conditions	Yield
With aluminum (III) chloride; sulfuryl dichloride at 55 - 60℃;

1,2-Dichloropropane (26198-63-0, 78-87-5) → 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4) + 1,1,2,2,3-pentachloropropane (16714-68-4)

Conditions	Yield
With aluminum (III) chloride; sulfuryl dichloride; sodium iodate at 60℃; for 4h;	A 1.4 g B 0.8 g C 2.3 g

1,2-Dichloropropane (26198-63-0, 78-87-5) → 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4) + 1,2,2,3-tetrachloropropane (13116-53-5) + 1,1,2,2,3-pentachloropropane (16714-68-4)

Conditions	Yield
With aluminum (III) chloride; sulfuryl dichloride; iodine at 55 - 70℃; for 7h; Inert atmosphere;

1,2-Dichloropropane (26198-63-0, 78-87-5) → 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4) + 1,1,2,2,3-pentachloropropane (16714-68-4) + 1,1,2,2,3,3-hexachloropropane (15600-01-8)

Conditions	Yield
With aluminum (III) chloride; iodine; chlorine In dichloromethane at 70℃; under 7224.57 - 7741.73 Torr; for 2h; Sealed tube;

1,1,2-trichloropropane (598-77-6) → 2-chloro-1,1-difluoro-propane (430-93-3)

Conditions	Yield
With hydrogen fluoride; mercury(II) oxide at 100℃;

1,1,2-trichloropropane (598-77-6) → 1,2-dichloro-1-fluoro-propane (7799-55-5)

Conditions	Yield
With hydrogen fluoride; mercury(II) oxide at 100℃;

1,1,2-trichloropropane (598-77-6) → 1,1-dichloropropene (563-58-6)

Conditions	Yield
With sodium hydroxide
With benzyltrimethylammonium chloride; sodium hydroxide In water at 70℃; for 4h;
With sodium hydroxide

1,1,2-trichloropropane (598-77-6) → 1,1,2,3-tetrachloropropane (18495-30-2)

Conditions	Yield
With aluminium trichloride; chlorine

1,1,2-trichloropropane (598-77-6) + carbon monoxide (201230-82-2) + benzene (71-43-2) → 1,1-diphenyl-1-propene (778-66-5) + (±)-2-methyl-2-phenyl-2,3-dihydro-1H-inden-1-one (1005420-27-8, 10474-32-5, 887255-49-4)

Conditions	Yield
With aluminium trichloride at 24 - 27℃; for 3h;

→ 1,1,2-trichloropropane

1,1,2-trichloropropane (598-77-6) + 20 percent NaOH → 1,1-dichloropropene (563-58-6)

1,1,2-trichloropropane (598-77-6) + antimonypentachloride (7647-18-9) → 1,1,1,2,2-pentachloropropane (64240-29-5)

Conditions	Yield
at 155℃;

1,1,2-trichloropropane (598-77-6) + hydrogen fluoride (7664-39-3) + mercury oxide → 2-chloro-1,1-difluoro-propane (430-93-3) + 1,2-dichloro-1-fluoro-propane (7799-55-5) + 1,1,2-trifluoropropane (66794-35-2)

Conditions	Yield
at 100℃;

Upstream product

• 187737-37-7 propene 
• 26198-63-0 1,2-Dichloropropane 
• 540-54-5 1-Chloropropane 
• 78-99-9 1,1-dichloropropane 
• 7647-18-9 antimonypentachloride 
• 67-66-3 chloroform 
• 7782-50-5 chlorine 
• 7446-70-0 aluminium trichloride 
• 7791-25-5 sulfuryl dichloride 
• 105-74-8 dilauryl peroxide 
• 94-36-0 dibenzoyl peroxide 
• 142-28-9 1,3-Dichloropropane 
• 627-30-5 1-chloro-3-hydroxypropane 
• 75-29-6 isopropyl chloride 

Downstream Products

• 430-93-3 2-chloro-1,1-difluoro-propane 
• 563-58-6 1,1-dichloropropene 
• 18495-30-2 1,1,2,3-tetrachloropropane 
• 778-66-5 1,1-diphenyl-1-propene 
• 1005420-27-8 (±)-2-methyl-2-phenyl-2,3-dihydro-1H-inden-1-one 
• 7799-55-5 1,2-dichloro-1-fluoro-propane 
• 66794-35-2 1,1,2-trifluoropropane 
• 16714-68-4 1,1,2,2,3-pentachloropropane 
• 15600-01-8 1,1,2,2,3,3-hexachloropropane 
• 96-18-4 1,2,3-trichloropropane 

Relevant articles and documents

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