CAS No.2136-89-2,2-Chlorobenzotrichloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2136-89-2
Name:	2-Chlorobenzotrichloride
Article Data:	12

Formula:	C₇H₄Cl₄
Molecular Weight:	229.921
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;
EINECS:	218-377-7
Density:	1.505 g/cm³
Melting Point:	136-141 °C(lit.)
Boiling Point:	264.4 °C at 760 mmHg
Flash Point:	98.3 °C
Appearance:	Clear colourless liquid after melting
Hazard Symbols:	Xi, Xn
Risk Codes:	22-36-38-40
Safety:	26-36/37
Transport Information:	UN 3261 8/PG 2
PSA:	0.00000
LogP:	4.16670

Synthetic route

: 88-66-4
2-chlorobenzal chloride

: 2136-89-2
2-chlorobenzotrichloride

Conditions

Conditions	Yield
With tetrachloromethane; sodium hydroxide; trimethyldodecylammonium chloride for 1h; Heating;	91%
	91%

: 95-49-8
2-methylchlorobenzene

: 2136-89-2
2-chlorobenzotrichloride

Conditions

Conditions	Yield
at 130℃; durch Chlorierung;
at 160 - 190℃; Einleiten von Chlor;
at 125℃; UV-Licht;
With chlorine; copper(l) chloride at 80 - 112℃; for 20h;

: 77421-13-7
(2-chlorobenzyl)sulfonyl chloride

: 2136-89-2
2-chlorobenzotrichloride

Conditions

Conditions	Yield
With chlorine at 150 - 180℃;

: 609-65-4
o-chlorobenzoyl chloride

: 2136-89-2
2-chlorobenzotrichloride

Conditions

Conditions	Yield
With phosphorus pentachloride at 200℃; im Rohr;

: 69-72-7
salicylic acid

: 2136-89-2
2-chlorobenzotrichloride

Conditions

Conditions	Yield
With phosphorus pentachloride
Multi-step reaction with 2 steps 1: thionyl chloride 2: benzene; phosphorus pentachloride / 80 °C View Scheme

: 1441-87-8
salicyloyl chloride

: 2136-89-2
2-chlorobenzotrichloride

Conditions

Conditions	Yield
With phosphorus pentachloride; benzene at 80℃;

: 118-91-2
ortho-chlorobenzoic acid

: 2136-89-2
2-chlorobenzotrichloride

Conditions

Conditions	Yield
With phosphorus pentachloride at 200℃; im Rohr;

: 7647-18-9
antimonypentachloride

: 98-07-7
Benzotrichlorid

A: 5216-25-1
4-chlorotrichloromethylbenzene

B: 2136-81-4
3-chlorobenzotrichloride

C: 2136-89-2
2-chlorobenzotrichloride

D dichloro-trichloromethyl-benzene: dichloro-trichloromethyl-benzene

Conditions

Conditions	Yield
at 0 - 50℃; Einleiten von Chlor;

...Expand

: 54-21-7
sodium salicylate

: 2136-89-2
2-chlorobenzotrichloride

Conditions

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

: 2136-89-2
2-chlorobenzotrichloride

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

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 0 - 10℃; for 2h;	99.1%
With sulfuric acid; nitric acid

Total:90 Page 1 of 3 1 2 3 Next>>

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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