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CAS No.: | 3064-70-8 |
---|---|
Name: | bis(trichloromethyl) sulphone |
Molecular Structure: | |
Formula: | C2Cl6O2S |
Molecular Weight: | 300.805 |
Synonyms: | Methane,sulfonylbis[trichloro- (9CI);Sulfone, bis(trichloromethyl) (6CI,7CI,8CI);Bis(trichloromethyl) sulfone;Chlorosulfona;Hexachlorodimethyl sulfone;N1386;NSC 21713;PCP 23052;Slimicide E; |
EINECS: | 221-310-4 |
Density: | 1.992 g/cm3 |
Melting Point: | 36-38 °C |
Boiling Point: | 284.313 °C at 760 mmHg |
Flash Point: | 125.748 °C |
Solubility: | Soluble in water and more dense than water. |
Appearance: | An off-white powdered solid with an aromatic odor |
PSA: | 42.52000 |
LogP: | 4.13740 |
Conditions | Yield |
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With sodium hypochlorite; glycolic Acid In water at 60℃; for 8h; pH=7 - 8; Reagent/catalyst; Temperature; | 95.8% |
bis-trichloromethyl sulfide
bis (trichloromethyl)-sulfone
Conditions | Yield |
---|---|
With chromium(VI) oxide; acetic acid |
bis (trichloromethyl)-sulfone
Conditions | Yield |
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With sodium hypochlorite; water |
bis (trichloromethyl)-sulfone
Conditions | Yield |
---|---|
With acetone; sodium iodide | |
With sodium hydroxide Hydrolysis; |
bis (trichloromethyl)-sulfone
isobutene
1,1,3-Trichloro-3-methyl-1-trichloromethanesulfonyl-butane
bis (trichloromethyl)-sulfone
isobutene
1,1,3-Trichloro-3-methyl-1-(1,1,3-trichloro-3-methyl-butane-1-sulfonyl)-butane
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Reported in EPA TSCA Inventory.
The Bis(trichloromethyl)sulfone, with the CAS registry number 3064-70-8, is also known as Hexachlorodimethyl sulfone. It belongs to the product categories of Organics; Aliphatics; Sulfur & Selenium Compounds. Its EINECS number is 221-310-4. This chemical's molecular formula is C2Cl6O2S and molecular weight is 300.80. What's more, its systematic name is Trichloro[(trichloromethyl)sulfonyl]methane. Its classification codes are: (1)Agricultural Chemical; (2)Fungicide, bactericide, wood preservative. When contact with the chemical, it may irritate skin, eyes or mucous membranes. It is used to make other chemicals. Combinations of Bis(trichloromethyl)sulfone, (Hexachlorodimethyl sulfone) and 1,2-Dibromo-2,4-dicyanobutane are shown to have synergistic antimicrobial properties. The synergistic compounds may be used together with a third microbiocide to enhance the compound’s effectiveness against a wide variety of bacteria, molds, and yeasts and other microorganisms.
Physical properties of Bis(trichloromethyl)sulfone are: (1)ACD/LogP: 6.694; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.69; (4)ACD/LogD (pH 7.4): 6.69; (5)ACD/BCF (pH 5.5): 72068.45; (6)ACD/BCF (pH 7.4): 72068.45; (7)ACD/KOC (pH 5.5): 104413.00; (8)ACD/KOC (pH 7.4): 104413.00; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 49.137 cm3; (15)Molar Volume: 150.986 cm3; (16)Polarizability: 19.479×10-24cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.992 g/cm3; (19)Flash Point: 125.748 °C; (20)Enthalpy of Vaporization: 50.228 kJ/mol; (21)Boiling Point: 284.313 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)S(=O)(=O)C(Cl)(Cl)Cl
(2)Std. InChI: InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8
(3)Std. InChIKey: YBNLWIZAWPBUKQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intravenous | 18mg/kg (18mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04617, | |
rabbit | LD50 | skin | > 631mg/kg (631mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS0545766, |
rat | LD50 | oral | 691mg/kg (691mg/kg) | Toxicologist. Vol. 4, Pg. 16, 1984. |