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CAS No.: | 2741-57-3 |
---|---|
Name: | ALPHA,ALPHA,ALPHA,ALPHA',ALPHA'-PENTACHLORO-2-XYLENE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H5Cl5 |
Molecular Weight: | 278.393 |
Synonyms: | o-Xylene, α,α,α,α',α'-pentachloro- (6CI,7CI,8CI);NSC 155825;α,α,α,α',α'-Pentachloro-O-xylene; |
EINECS: | 220-371-4 |
Density: | 1.541 g/cm3 |
Boiling Point: | 310.16 °C at 760 mmHg |
Flash Point: | 142.074 °C |
PSA: | 0.00000 |
LogP: | 4.98950 |
α,α,α',α'-tetrachloro-o-xylene
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; |
formaldehyd
toluene
A
1,4-bis(trichloromethyl)benzene
B
o-dichloromethyltrichloromethylbenzene
Conditions | Yield |
---|---|
With hydrogenchloride; zinc(II) chloride at 75℃; |
tetrachloromethane
o-xylene
chlorine
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 |
o-dichloromethyltrichloromethylbenzene
(E)-3-Ureido-but-2-enoic acid ethyl ester
maleic acid
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; |
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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