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Cas Database |
| Name |
1-(Dichloromethyl)-2-(trichloromethyl)benzene |
EINECS | 220-371-4 |
| CAS No. | 2741-57-3 | Density | 1.541 g/cm3 |
| PSA | 0.00000 | LogP | 4.98950 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H5Cl5 | Boiling Point | 310.16 °C at 760 mmHg |
| Molecular Weight | 278.393 | Flash Point | 142.074 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
o-Xylene, α,α,α,α',α'-pentachloro- (6CI,7CI,8CI);NSC 155825;α,α,α,α',α'-Pentachloro-O-xylene; |
Article Data | 9 |
1-(Dichloromethyl)-2-(trichloromethyl)benzene Synthetic route
- 25641-99-0
α,α,α',α'-tetrachloro-o-xylene
- 2741-57-3
o-dichloromethyltrichloromethylbenzene
| Conditions | Yield |
|---|---|
| With chlorine In tetrachloromethane for 24h; Heating; Irradiation; | 12.5% |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride at 200℃; im Einschlussrohr; | |
| With chlorine at 100 - 200℃; Irradiation; | |
| With chlorine at 90 - 110℃; under 75.0075 Torr; UV-irradiation; Inert atmosphere; | |
| With chlorine at 100 - 200℃; Irradiation; |
- 50-00-0
formaldehyd
- 108-88-3
toluene
A
- 68-36-0
1,4-bis(trichloromethyl)benzene
B
- 2741-57-3
o-dichloromethyltrichloromethylbenzene
| Conditions | Yield |
|---|---|
| With hydrogenchloride; zinc(II) chloride at 75℃; |
- 56-23-5
tetrachloromethane
- 95-47-6
o-xylene
- 7782-50-5
chlorine
- 2741-57-3
o-dichloromethyltrichloromethylbenzene
| Conditions | Yield |
|---|---|
| at 60 - 70℃; Licht einer Gluehlampe; |
| Conditions | Yield |
|---|---|
| With maleic acid; zinc(II) chloride at 135℃; |
| Conditions | Yield |
|---|---|
| With hydrogen fluoride | |
| With hydrogen fluoride |
- 2741-57-3
o-dichloromethyltrichloromethylbenzene
- 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester
- 110-16-7
maleic acid
- 6295-21-2
3-chloro-1(3H)-isobenzofuranone
| Conditions | Yield |
|---|---|
| at 135℃; |
| Conditions | Yield |
|---|---|
| With hydrogen fluoride | |
| With hydrogen fluoride at 80℃; under 12001.2 - 16501.7 Torr; Autoclave; |
1-(Dichloromethyl)-2-(trichloromethyl)benzene Specification
The Benzene,1-(dichloromethyl)-2-(trichloromethyl)-, with the CAS registry number 2741-57-3, is also known as α,α,α,α',α'-Pentachloro-O-xylene. It belongs to the product category of Benzene derivates. Its EINECS number is 220-371-4. This chemical's molecular formula is C8H5Cl5 and molecular weight is 278.39. What's more, its IUPAC name is 1-(dichloromethyl)-2-(trichloromethyl)benzene.
Physical properties of Benzene,1-(dichloromethyl)-2-(trichloromethyl)- are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/BCF (pH 5.5): 390.65; (5)ACD/KOC (pH 5.5): 2493.48; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 59.9 cm3; (9)Molar Volume: 180.5 cm3; (10)Polarizability: 23.74×10-24cm3; (11)Surface Tension: 43.4 dyne/cm; (12)Density: 1.541 g/cm3; (13)Flash Point: 142.1 °C; (14)Enthalpy of Vaporization: 52.9 kJ/mol; (15)Boiling Point: 310.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00112 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(Cl)Cl)C(Cl)(Cl)Cl
(2)InChI: InChI=1S/C8H5Cl5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H
(3)InChIKey: UXMNSLMVCBBGCW-UHFFFAOYSA-N
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