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Molecule structure of Thiabendazole hydrochloride (CAS NO.19525-20-3) :
IUPAC Name: 4-(1H-benzimidazol-2-yl)-1,3-thiazole hydrochloride
Molecular Weight: 237.70862 g/mol
Molecular Formula: C10H8ClN3S
Boiling Point: 446 °C at 760 mmHg
Flash Point: 226.2 °C
Enthalpy of Vaporization: 70.4 kJ/mol
Vapour Pressure: 3.79E-08 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 237.012746
MonoIsotopic Mass: 237.012746
Topological Polar Surface Area: 41.6
Heavy Atom Count: 15
Complexity: 212
Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3.Cl
InChI: InChI=1S/C10H7N3S.ClH/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;/h1-6H,(H,12,13);1H
InChIKey: XRBJCVRLNRBXHG-UHFFFAOYSA-N
EINECS of Thiabendazole hydrochloride (CAS NO.19525-20-3) : 243-132-6
1. | orl-rat LD50:3600 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 7 (1965),53. | ||
2. | ipr-rat LD50:436 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 7 (1965),53. | ||
3. | ivn-rat LD50:180 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 7 (1965),53. | ||
4. | orl-mus LD50:2400 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 7 (1965),53. | ||
5. | ipr-mus LD50:430 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 7 (1965),53. | ||
6. | ivn-mus LD50:160 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 7 (1965),53. |
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of HCl, SOx, and NOx.
Thiabendazole hydrochloride (CAS NO.19525-20-3) is also called 2-(4-Thiazolyl)benzimidazole hydrochloride ; Benzimidazole, 2-(4-thiazolyl)-, hydrochloride .