Product Name

  • Name

    2-Chlorobenzotrichloride

  • EINECS 218-377-7
  • CAS No. 2136-89-2
  • Article Data12
  • CAS DataBase
  • Density 1.505 g/cm3
  • Solubility
  • Melting Point 136-141 °C(lit.)
  • Formula C7H4Cl4
  • Boiling Point 264.4 °C at 760 mmHg
  • Molecular Weight 229.921
  • Flash Point 98.3 °C
  • Transport Information UN 3261 8/PG 2
  • Appearance Clear colourless liquid after melting
  • Safety 26-36/37
  • Risk Codes 22-36-38-40
  • Molecular Structure Molecular Structure of 2136-89-2 (2-Chlorobenzotrichloride)
  • Hazard Symbols IrritantXi, HarmfulXn
  • Synonyms Toluene, o,a,a,a-tetrachloro- (6CI,7CI,8CI);1-Chloro-2-(trichloromethyl)benzene;NSC 59736;o-Chlorobenzotrichloride;o-Chlorobenzylidyne chloride;o-Chlorophenyltrichloromethane;a,a,a,2-Tetrachlorotoluene;
  • PSA 0.00000
  • LogP 4.16670

Synthetic route

2-chlorobenzal chloride
88-66-4

2-chlorobenzal chloride

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

Conditions
ConditionsYield
With tetrachloromethane; sodium hydroxide; trimethyldodecylammonium chloride for 1h; Heating;91%
91%
2-methylchlorobenzene
95-49-8

2-methylchlorobenzene

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

Conditions
ConditionsYield
at 130℃; durch Chlorierung;
at 160 - 190℃; Einleiten von Chlor;
at 125℃; UV-Licht;
With chlorine; copper(l) chloride at 80 - 112℃; for 20h;
(2-chlorobenzyl)sulfonyl chloride
77421-13-7

(2-chlorobenzyl)sulfonyl chloride

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

Conditions
ConditionsYield
With chlorine at 150 - 180℃;
o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

Conditions
ConditionsYield
With phosphorus pentachloride at 200℃; im Rohr;
salicylic acid
69-72-7

salicylic acid

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

Conditions
ConditionsYield
With phosphorus pentachloride
Multi-step reaction with 2 steps
1: thionyl chloride
2: benzene; phosphorus pentachloride / 80 °C
View Scheme
salicyloyl chloride
1441-87-8

salicyloyl chloride

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

Conditions
ConditionsYield
With phosphorus pentachloride; benzene at 80℃;
ortho-chlorobenzoic acid
118-91-2

ortho-chlorobenzoic acid

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

Conditions
ConditionsYield
With phosphorus pentachloride at 200℃; im Rohr;
antimonypentachloride
7647-18-9

antimonypentachloride

Benzotrichlorid
98-07-7

Benzotrichlorid

A

4-chlorotrichloromethylbenzene
5216-25-1

4-chlorotrichloromethylbenzene

B

3-chlorobenzotrichloride
2136-81-4

3-chlorobenzotrichloride

C

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

D

dichloro-trichloromethyl-benzene

dichloro-trichloromethyl-benzene

Conditions
ConditionsYield
at 0 - 50℃; Einleiten von Chlor;
...Expand
sodium salicylate
54-21-7

sodium salicylate

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride
2: benzene; phosphorus pentachloride / 80 °C
View Scheme
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

1-chloro-4-nitro-2-(trichloromethyl)benzene
831-50-5

1-chloro-4-nitro-2-(trichloromethyl)benzene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 0 - 10℃; for 2h;99.1%
With sulfuric acid; nitric acid
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

triethylamine
121-44-8

triethylamine

N,N-Diethyl-2-chlorobenzamide
10345-79-6

N,N-Diethyl-2-chlorobenzamide

Conditions
ConditionsYield
With B12 complex immobilized on rhodium(III) modified anatase TiO2; air In acetonitrile at 20℃; for 3h; Irradiation;98%
With heptamethyl Coβ-perchlorato-cob(II)yrinate; tetrabutylammonium perchlorate In acetonitrile at 20℃; for 3h; Electrolysis;94%
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

5-bromo-2-chlorobenzoic acid
21739-92-4

5-bromo-2-chlorobenzoic acid

Conditions
ConditionsYield
Stage #1: 2-chlorobenzotrichloride With ferric(III) bromide; ferrocenyl methyl trimethyl ammonium bromide; copper(I) bromide; iron(II) bromide at 20℃; for 15h;
Stage #2: With aminosulfonic acid In water at 80℃; for 8h;		92.5%
Stage #1: 2-chlorobenzotrichloride With bromine; iron for 6h;
Stage #2: With sulfuric acid at 100℃; for 5h;		90%
Stage #1: 2-chlorobenzotrichloride With ferric(III) bromide; bromine In dichloromethane at 25 - 30℃; for 6h;
Stage #2: With acetic acid at 110℃; for 15h; Reagent/catalyst; Temperature;
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

2-AMINOBENZENESULFONAMIDE
3306-62-5

2-AMINOBENZENESULFONAMIDE

3-(2-chlorophenyl)-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
73676-89-8

3-(2-chlorophenyl)-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide

Conditions
ConditionsYield
With Sodium borate In water at 100℃; for 16h;76%
methanol
67-56-1

methanol

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

methyl chlorobenzoate
610-96-8

methyl chlorobenzoate

Conditions
ConditionsYield
at 20℃; for 3h; UV-irradiation;75%
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

anthranilic acid amide
28144-70-9

anthranilic acid amide

2-(2-chlorophenyl)quinazolin-4(3H)-one
4765-50-8

2-(2-chlorophenyl)quinazolin-4(3H)-one

Conditions
ConditionsYield
With Sodium borate In water at 100℃; for 16h;60%
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

A

(Z)-1,2-dichloro-1,2-bis(2-chlorophenyl)ethylene
856162-07-7

(Z)-1,2-dichloro-1,2-bis(2-chlorophenyl)ethylene

B

C14H8Cl6

C14H8Cl6

Conditions
ConditionsYield
With iron(II) chloride In acetonitrile at 25℃; for 7h;A 39%
B 38%
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

benzene
71-43-2

benzene

2-chlorotrityl chloride
42074-68-0

2-chlorotrityl chloride

Conditions
ConditionsYield
With aluminium trichloride for 14h; Friedel-Crafts alkylation; Heating;36%
p-cresol
106-44-5

p-cresol

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

2-methyl-9H-xanthen-9-one
6280-45-1

2-methyl-9H-xanthen-9-one

Conditions
ConditionsYield
With carbon disulfide; aluminium trichloride
p-cresol
106-44-5

p-cresol

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

(2-chlorophenyl)(2-hydroxy-5-methylphenyl)methanone
6280-52-0

(2-chlorophenyl)(2-hydroxy-5-methylphenyl)methanone

Conditions
ConditionsYield
With carbon disulfide; aluminium trichloride Behandeln des erhaltenen Reaktionsprodukts mit H2O;
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

1-chloro-2-(trifluoromethyl)benzene
88-16-4

1-chloro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With hydrogen fluoride; antimonypentachloride
With antimony(III) fluoride
With hydrogen fluoride at 50℃; under 7500.75 Torr; for 1h; Autoclave;
With antimony (V)-fluoride chloride; phosphorus pentachloride; hydrogen fluoride
With hydrogen fluoride at 82℃; under 1500.15 - 13501.4 Torr; for 0.5h; Pressure; Temperature;
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

A

(Z)-1,2-dichloro-1,2-bis(2-chlorophenyl)ethylene
856162-07-7

(Z)-1,2-dichloro-1,2-bis(2-chlorophenyl)ethylene

B

(E)-1,2-dichloro-1,2-bis(2-chlorophenyl)ethylene

(E)-1,2-dichloro-1,2-bis(2-chlorophenyl)ethylene

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); 1,1,1,2,2,2-hexamethyldisilane In 1,3,5-trimethyl-benzene at 130℃; for 2h; Yield given. Yields of byproduct given;
With F2Cl2*4H2O In acetonitrile at 45 - 50℃; for 7h;
ethanol
64-17-5

ethanol

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

ethyl 2-chlorobenzoate
7335-25-3

ethyl 2-chlorobenzoate

Conditions
ConditionsYield
With hydrazine hydrate Heating;
With heptamethyl cobyrinate perchlorate; tetrabutylammonium perchlorate at 20℃; Electrolysis;48 %Chromat.
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

water
7732-18-5

water

ortho-chlorobenzoic acid
118-91-2

ortho-chlorobenzoic acid

Conditions
ConditionsYield
at 150℃;
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

benzene
71-43-2

benzene

copper powder

copper powder

A

a-o.o'-dichloro-tolan dichloride

a-o.o'-dichloro-tolan dichloride

B

β-o.o'-dichloro-tolan dichloride

β-o.o'-dichloro-tolan dichloride

...Expand
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

UCL-1880

UCL-1880

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 36 percent / AlCl3 / 14 h / Heating
2: 18 percent / Et3N / acetonitrile / 4 h / Heating
View Scheme
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

2-trifluoromethyl-phenetole
2366-91-8

2-trifluoromethyl-phenetole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: SbCl5; HF
2: NaOH; ethanol / 160 °C
View Scheme
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

salicylic acid
69-72-7

salicylic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: SbCl5; HF
2: NaOH; ethanol / 160 °C
View Scheme
2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

2-Chlor-5-amino-benzotrichlorid
71195-69-2

2-Chlor-5-amino-benzotrichlorid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: HNO3, H2SO4
2: aq. HCl, SnCl2 / ethanol; acetone
View Scheme
2-chlorobenzal chloride
88-66-4

2-chlorobenzal chloride

2-chlorobenzotrichloride
2136-89-2

2-chlorobenzotrichloride

2-chloro-benzaldehyde
89-98-5

2-chloro-benzaldehyde

2-Chlorobenzotrichloride Specification

The Benzene,1-chloro-2-(trichloromethyl)-, with CAS registry number 2136-89-2, has the systematic name of 1-chloro-2-(trichloromethyl)benzene. This chemical is a kind of clear colourless liquid after melting. And the chemical formula of this chemical is C7H4Cl4. What's more, its EINECS is 218-377-7.

Physical properties of Benzene,1-chloro-2-(trichloromethyl)-: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 579.64; (6)ACD/BCF (pH 7.4): 579.64; (7)ACD/KOC (pH 5.5): 3307.3; (8)ACD/KOC (pH 7.4): 3307.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 50.18 cm3; (15)Molar Volume: 152.7 cm3; (16)Polarizability: 19.89×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Enthalpy of Vaporization: 48.21 kJ/mol; (19)Vapour Pressure: 0.0159 mmHg at 25°C.

The main use of this chemical is for the intermediate of Clotrinazole and the production of 2-Chlorobenzoyl chloride. This chemical can be prepared by O-Chlorotoluene. You should add some phosphorus trichloride in this chemical, and aerate the chlorine, so you can get this chemical.

Uses of Benzene,1-chloro-2-(trichloromethyl)-: it can be used to produce 2,a,2',a'-tetrachloro-stilbene and C14H8Cl6. This reaction will need reagent FeCl2.4H2O and solvent acetonitrile. The reaction time is 7 hour(s) with reaction temperature of 25℃. The yield is about 38%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-chloro-2-(trichloromethyl)- is harmful if swallowed. This chemical irritates to eyes and skin. And it has limited evidence of a carcinogenic effect. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)c1ccccc1Cl
(2)InChI: InChI=1/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
(3)InChIKey: MFHPYLFZSCSNST-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
(5)Std. InChIKey: MFHPYLFZSCSNST-UHFFFAOYSA-N

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