Product Name

  • Name

    1,2-bis(dichloromethyl)benzene

  • EINECS 247-159-4
  • CAS No. 25641-99-0
  • Article Data7
  • CAS DataBase
  • Density 1.443 g/cm3
  • Solubility
  • Melting Point 85°C
  • Formula C8H6Cl4
  • Boiling Point 294.567 °C at 760 mmHg
  • Molecular Weight 243.948
  • Flash Point 134.25 °C
  • Transport Information UN 1759
  • Appearance White to Grey white crystals powder
  • Safety 26-36/37/39-45
  • Risk Codes 34-36/37/38
  • Molecular Structure Molecular Structure of 25641-99-0 (1,2-bis(dichloromethyl)benzene)
  • Hazard Symbols CorrosiveC
  • Synonyms o-Xylene, a,a,a',a'-tetrachloro- (8CI);a,a,a',a'-Tetrachloro-o-xylene;
  • PSA 0.00000
  • LogP 4.63900

Synthetic route

o-phthalic dicarboxaldehyde
643-79-8

o-phthalic dicarboxaldehyde

α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

Conditions
ConditionsYield
With tungsten(VI) chloride In dichloromethane for 5h; Heating;90%
o-xylene
95-47-6

o-xylene

α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

Conditions
ConditionsYield
With chlorine at 140℃; spaeter bei 160-170grad;
With phosphorus pentachloride at 170 - 200℃;
o-xylene
95-47-6

o-xylene

A

α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

B

α,α,α'-trichloro-o-xylene
30293-58-4

α,α,α'-trichloro-o-xylene

Conditions
ConditionsYield
at 140 - 160℃; Einleiten von Chlor;
at 142 - 160℃; Einleiten von Chlor;
o-xylene
95-47-6

o-xylene

chlorine
7782-50-5

chlorine

A

α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

B

α,α,α'-trichloro-o-xylene
30293-58-4

α,α,α'-trichloro-o-xylene

Conditions
ConditionsYield
at 140 - 160℃;
α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

o-dichloromethyltrichloromethylbenzene
2741-57-3

o-dichloromethyltrichloromethylbenzene

Conditions
ConditionsYield
With chlorine In tetrachloromethane for 24h; Heating; Irradiation;12.5%
α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

triphenylphosphine
603-35-0

triphenylphosphine

1,2-bis((diphenylphosphino)methyl)benzene
62144-65-4

1,2-bis((diphenylphosphino)methyl)benzene

Conditions
ConditionsYield
With ammonia; sodium; ammonium chloride 1) 30 min., 2) 2 h; Yield given. Multistep reaction;
α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

aqueous hydrazine solution

aqueous hydrazine solution

PHTHALAZINE
253-52-1

PHTHALAZINE

Conditions
ConditionsYield
at 150℃;
α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

water
7732-18-5

water

2-benzofuran-1(3H)-one
87-41-2

2-benzofuran-1(3H)-one

Conditions
ConditionsYield
at 200 - 210℃;
α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

water
7732-18-5

water

o-phthalic dicarboxaldehyde
643-79-8

o-phthalic dicarboxaldehyde

α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

ammonia
7664-41-7

ammonia

nitrobenzene
98-95-3

nitrobenzene

CuCl2

CuCl2

copper (II)-phthalocyanin

copper (II)-phthalocyanin

α,α,α',α'-tetrachloro-o-xylene
25641-99-0

α,α,α',α'-tetrachloro-o-xylene

o-phthalic dicarboxaldehyde
643-79-8

o-phthalic dicarboxaldehyde

Conditions
ConditionsYield
With sodium hydroxide; water; acetic acid at 160℃; under 2850.29 - 2925.29 Torr; for 1h; Product distribution / selectivity;

1,2-bis(dichloromethyl)benzene Specification

This chemical is called Benzene, 1,2-bis(dichloromethyl)-, and its systematic name is 1,2-bis(dichloromethyl)benzene. With the molecular formula of C8H6Cl4, its molecular weight is 243.95. The CAS registry number of this chemical is 25641-99-0. Additionally, its product category is Industrial/Fine Chemicals.

Other characteristics of the Benzene, 1,2-bis(dichloromethyl)- can be summarised as followings: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 119.43; (6)ACD/BCF (pH 7.4): 119.43; (7)ACD/KOC (pH 5.5): 1067.57; (8)ACD/KOC (pH 7.4): 1067.57; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 55.48 cm3; (15)Molar Volume: 169 cm3; (16)Polarizability: 21.99×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.442 g/cm3; (19)Flash Point: 134.2 °C; (20)Enthalpy of Vaporization: 51.28 kJ/mol; (21)Boiling Point: 294.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00283 mmHg at 25°C.

Production method of this chemical: The Benzene, 1,2-bis(dichloromethyl)- could be obtained by the reactant of benzene-1,2-dicarbaldehyde. This reaction needs the reagent of WCl6, and the solvent of CH2Cl2. The yield is 90 %. In addition, this reaction should be taken for 5 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical, causes burns, is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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)c1ccccc1C(Cl)Cl
2.InChI: InChI=1/C8H6Cl4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H
3.InChIKey: UFJYKWQUTDGGPV-UHFFFAOYAP

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