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| CAS No.: | 148-79-8 |
|---|---|
| Name: | Thiabendazole |
| Article Data: | 50 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H7N3S |
| Molecular Weight: | 201.252 |
| Synonyms: | Thibenzole 200;Mertect 160;MK 360;Tiabenda;Benzimidazole, 2- (4-thiazolyl)-;E-Z-Ex;4-(2-benzimidazolyl)thiazole;Polival;Hokustar HP;2-(4-Thiazolyl)-1H-benzimidazole;2-(4-Thiazolyl)benzimidazole;Bovizole;TectiviridaeTectivirusTecto;Pitrizet;Syntol M 100;MK-360; |
| EINECS: | 205-725-8 |
| Density: | 1.406 g/cm3 |
| Melting Point: | 298-301 °C |
| Boiling Point: | 446 °C at 760 mmHg |
| Flash Point: | 226.2 °C |
| Solubility: | 0.005 g/100 mL in water |
| Appearance: | light yellow powder |
| Hazard Symbols: |
 Xi, N
|
| Risk Codes: | 50/53-36/37/38 |
| Safety: | 60-61-36-26 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 69.81000 |
| LogP: | 2.68640 |
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- 148-79-8
thiabendazole
| Conditions | Yield |
|---|---|
| With sodium hypochlorite; sodium carbonate In methanol; water at 0 - 65℃; for 1.5h; pH=9 - 10; | 97.82% |
| Stage #1: C10H9N3S*ClH With sodium carbonate In methanol; water at 0 - 5℃; for 0.333333h; Stage #2: With sodium hypochlorite In methanol; water at 5 - 65℃; for 2h; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; ethylenediaminetetraacetic acid In water | 92.7% |
- 1452-15-9
thiazole-4-carbonitrile
- 39145-59-0
o-phenylenediamine hydrochloride
- 95-54-5
1,2-diamino-benzene
- 50-81-7
ascorbic acid
- 148-79-8
thiabendazole
| Conditions | Yield |
|---|---|
| With hydrogenchloride; ethylenediaminetetraacetic acid In methanol; water | 91.7% |
| With hydrogenchloride; ethylenediaminetetraacetic acid In water |
| Conditions | Yield |
|---|---|
| Stage #1: 1,2-diamino-benzene With polyphosphoric acid at 150℃; Inert atmosphere; Stage #2: Thiazole-4-carboxylic acid at 230℃; for 2h; Reagent/catalyst; Temperature; Inert atmosphere; | 88% |
| With polyphosphoric acid for 3h; Reflux; |
- 1452-15-9
thiazole-4-carbonitrile
- 95-54-5
1,2-diamino-benzene
- 50-81-7
ascorbic acid
- 71-36-3
butan-1-ol
- 148-79-8
thiabendazole
| Conditions | Yield |
|---|---|
| With methanesulfonic acid In water | 87.1% |
| With acetic acid In water | 75.4% |
| Conditions | Yield |
|---|---|
| With sodium metabisulfite In N,N-dimethyl-formamide at 120℃; | 85% |
| Stage #1: 1,3-thiazole-4-carbaldehyde; 1,2-diamino-benzene In N,N-dimethyl-formamide for 0.0833333h; Inert atmosphere; Stage #2: With sodium metabisulfite In N,N-dimethyl-formamide at 20℃; Inert atmosphere; | |
| With sodium disulfite In N,N-dimethyl-formamide at 20℃; for 8h; | |
| With sodium metabisulfite In N,N-dimethyl-formamide at 120℃; | |
| With sodium metabisulfite In N,N-dimethyl-formamide for 6h; |
- 1452-15-9
thiazole-4-carbonitrile
- 5329-14-6
aminosulfonic acid
- 95-54-5
1,2-diamino-benzene
- 50-81-7
ascorbic acid
- 71-36-3
butan-1-ol
- 148-79-8
thiabendazole
| Conditions | Yield |
|---|---|
| In water | 75.7% |
- 1452-15-9
thiazole-4-carbonitrile
- 95-54-5
1,2-diamino-benzene
- 50-81-7
ascorbic acid
- 71-36-3
butan-1-ol
- 148-79-8
thiabendazole
| Conditions | Yield |
|---|---|
| In water | 74.5% |
- 148-79-8
thiabendazole
| Conditions | Yield |
|---|---|
| With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate In tert-butyl methyl ether at 20℃; for 36h; Schlenk technique; Sealed tube; Inert atmosphere; | 40% |
- 148-79-8
thiabendazole
| Conditions | Yield |
|---|---|
| With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate In tert-butyl methyl ether at 20℃; for 36h; Schlenk technique; Sealed tube; | 40% |
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Consensus Reports
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Specification
Thiabendazole, with the IUPAC Name of 4-(1H-Benzimidazol-2-yl)-1,3-thiazole, is one kind of light yellow powder. This chemical belongs to the Product Categories which include Xanthones; Heterocyclic Compounds; FUNGICIDE; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds; API's. With the CAS NO. 148-79-8, Thiabendazole is a systemic benzimidazole fungicide.
Physical properties about Thiabendazole are: (1)ACD/LogP: 2.47; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 2.47; (4)ACD/BCF (pH 5.5): 43.36; (5)ACD/BCF (pH 7.4): 44.36; (6)ACD/KOC (pH 5.5): 513.56; (7)ACD/KOC (pH 7.4): 525.39; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.74; (12)Molar Refractivity: 57.687 cm3; (13)Molar Volume: 143.083 cm3; (14)Polarizability: 22.869 10-24cm3; (15)Surface Tension: 71.1259994506836 dyne/cm; (16)Density: 1.407 g/cm3; (17)Flash Point: 226.212 °C ; (18)Enthalpy of Vaporization: 70.403 kJ/mol; (19)Boiling Point: 445.951 °C at 760 mmHg
Uses of Thiabendazole: Thiabendazole is used primarily to control mold, blight, and other fungally caused diseases in fruits (e.g. oranges) and vegetables; it is also used as a prophylactic treatment for Dutch Elm disease and used in treatment of Aspergillus has been reported.As an antiparasitic, it is able to control roundworms, hookworms, and other helminth species which attack wild animals, livestock and humans.Medicinally, Thiabendazole is also a chelating agent, which means that it is used medicinally to bind metals in cases of metal poisoning, such as lead poisoning, mercury poisoning or antimony poisoning. In dogs and cats thiabendazole is also used to treat ear infections. Thiabendazole is also used as a food additive, a preservative with E number E233. For example, it is applied to bananas to ensure freshness, and is a common ingredient in the waxes applied to the skin of citrus fruits.
When you are using this chemical, please be cautious about it as the following:
1. This material and/or its container must be disposed of as hazardous waste;
2. Avoid release to the environment. Refer to special instructions safety data sheet;
3. Wear suitable protective clothing;
4. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13);
(2)InChIKey=WJCNZQLZVWNLKY-UHFFFAOYSA-N;
(3)Smilesc1(c2cscn2)[nH]c2ccccc2n1;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD50 | oral | 4gm/kg (4000mg/kg) | Veterinarno-Meditsinski Nauki. Veterinary Science. Vol. 19(3), Pg. 99, 1982. | |
| domestic animals - goat/sheep | LD50 | oral | 400mg/kg (400mg/kg) | Veterinarno-Meditsinski Nauki. Veterinary Science. Vol. 19(3), Pg. 99, 1982. | |
| man | TDLo | oral | 47619ug/kg/1D (47.619mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pediatrics. Vol. 102, Pg. 317, 1983. |
| mouse | LD50 | oral | 1300mg/kg (1300mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(10), Pg. 28, 1990. | |
| rabbit | LD50 | oral | 3850mg/kg (3850mg/kg) | "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976. | |
| rat | LD50 | oral | 2080mg/kg (2080mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989. |