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| CAS No.: | 80-33-1 |
|---|---|
| Name: | OVEX |
| Molecular Structure: | |
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|
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| Formula: | C12H8 Cl2 O3 S |
| Molecular Weight: | 303.166 |
| Synonyms: | Benzenesulfonicacid, p-chloro-, p-chlorophenyl ester (6CI,7CI,8CI); 4-Chlorophenyl4-chlorobenzenesulfonate; 4-Chlorophenyl 4-chlorobenzenesulphonate; AcaricydolE 20; Benzolsulfonat; C 1006; CCS; CPCBS; Chlorbenzolsulfonat; Chlorfensin;Chlorfenson; Chlorofenizon; D 854; Danicut; Erysit; Estonmite; Ethersulfonate;Genite 883; K 6451; Lethalaire G-58; Miticide K 101; NSC 5618; Onex; Orthotran;Otracid; Ovatran; Ovex; Ovochlor; Ovotox; Ovotran; PCPCBS; Roztoczol fluid;Sappilan; p-Chlorophenyl p-chlorobenzenesulfonate; p-Chlorophenylp-chlorobenzenesulphonate |
| Density: | 1.464g/cm3 |
| Melting Point: | 86.5-86.8° |
| Boiling Point: | 429.6oC at 760 mmHg |
| Flash Point: | 213.6oC |
| Hazard Symbols: |
 
|
| Risk Codes: | 22-38-50/53 |
| Safety: | Moderately toxic by ingestion and possibly other routes. Questionable carcinogen with experimental tumorigenic data. A pesticide. When heated to decomposition it emits very toxic fumes of Cl− and SOx. See also SULFONATES and CHLORINATED HYDROCARBONS, AROMATIC. |
| PSA: | 51.75000 |
| LogP: | 4.84190 |
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Chemistry
Molecule structure of 4-Chlorophenyl-4-chlorobenzene sulfonate (CAS NO.80-33-1) :
IUPAC Name: (4-chlorophenyl) 4-chlorobenzenesulfonate
Molecular Weight: 303.16112 g/mol
Molecular Formula: C12H8Cl2O3S
Density: 1.464 g/cm3
Melting Point 86.5 °C
Boiling Point: 429.6 °C at 760 mmHg
Flash Point: 213.6 °C
Solubility: dichloroethylene 1000g / L, xylene 780g / L, ethanol, 14g / L, not dissolve in water
Appreance: white crystal
Molar Volume: 206.9 cm3
Polarizability: 28.41*10-24 cm3
Surface Tension: 50.4 dyne/cm
Enthalpy of Vaporization: 65.84 kJ/mol
Vapour Pressure: 3.47E-07 mmHg at 25 °C
Henry's Law Constant 1.64E-07 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant 6.57E-12 cm3/molecule-sec at 25 °C
XLogP3: 4.3
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 301.95712
MonoIsotopic Mass: 301.95712
Topological Polar Surface Area: 43.4
Heavy Atom Count: 18
Complexity: 350
Canonical SMILES: C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI: InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKey: RZXLPPRPEOUENN-UHFFFAOYSA-N
EINECS: 201-270-4
Product Categories: Miticide
Storage temp.: 0-6 °C
Uses
4-Chlorophenyl-4-chlorobenzene sulfonate (CAS NO.80-33-1) have a higher activity to many mites and eggs which eat plants. There are significant residual activity of killing the eggs and slight insecticidal activity. 4-Chlorophenyl-4-chlorobenzene sulfonate (CAS NO.80-33-1) is used for all kinds of mites of cotton and fruit trees. It is generally no phytotoxicity. Also it can be used as anti-moth wool textile agent.
Production
To 4-Chlorobenzenesulfonic acid and Chlorosulfonic acid as raw materials, through the following steps to produce the kill mites ester. The content of industrial products of kill mites ester is over 95%, when the consumption of raw materials fixed: The 4-Chlorobenzenesulfonic acid (92%) 1230kg / t, Chlorosulfonic acid (95%) 2100kg / t, Phenol (98%) 310kg / t, Sodium hydroxide (95%) 157kg / t, Chlorine ( 99.5%) 250kg / t, Ferric chloride (99%) 1.8kg / t.
Toxicity Data With Reference
| 1. | orl-rat LD50:2000 mg/kg | GUCHAZ Guide to the Chemicals Used in Crop Protection 6 (1973),381. | ||
| 2. | unr-rat LD50:2050 mg/kg | DABBBA Dissertation Abstracts International, B: The Sciences and Engineering. 32 (1972),4116. | ||
| 3. | orl-mus LD50:2000 mg/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: ),1983,C167. | ||
| 4. | orl-rbt LD50:5660 mg/kg | PCOC** Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: 1966),841. | ||
| 5. | orl-gpg LD50:640 mg/kg | PCOC** Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: 1966),841. | ||
| 6. | orl-ckn LD50:3780 mg/kg | PCOC** Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: 1966),841. |
Safety Profile
Moderately toxic by ingestion and possibly other routes. Questionable carcinogen with experimental tumorigenic data. A pesticide. When heated to decomposition it emits very toxic fumes of Cl− and SOx. See also SULFONATES and CHLORINATED HYDROCARBONS, AROMATIC.
Hazard Codes: 
Xn, 
N
Risk Statements: 22-38-50/53
R22: Harmful if swallowed
R38: Irritating to skin
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 37-60-61
S37: Wear suitable gloves
S60: This material and its container must be disposed of as hazardous waste
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR: UN3077 9/PG 3
RTECS: DB5250000
Specification
4-Chlorophenyl-4-chlorobenzene sulfonate (CAS NO.80-33-1) is also called Ovotox(r) ; Ovex ; p-Chlorophenyl-p-chlorobenzene sulfonate ; Orthotran(r) ; Mitran(r) ; (4-Chloor-fenyl)-4-chloor-benzeen-sulfonaat . 4-Chlorophenyl-4-chlorobenzene sulfonate (CAS NO.80-33-1) is chemical stability. But it decomposits when encountered alkali. 4-Chlorophenyl-4-chlorobenzene sulfonate (CAS NO.80-33-1) is moderate toxic.It will produce toxic chloride and sulfur oxide gases when buring. So the storage environment should be ventilate, low-temperature and dry.Keep it separate from raw materials of food.