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| Name |
N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate |
EINECS | N/A |
| CAS No. | 5902-85-2 | Density | g/cm3 |
| PSA | 122.37000 | LogP | 2.59660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H5NS2•C2H7NO | Boiling Point | 305°Cat760mmHg |
| Molecular Weight | 228.35 | Flash Point | 138.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. A severe eye irritant. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. A severe eye irritant. |
| Synonyms |
benzothiazole-2(3H)-thione, compound with 2-aminoethanol (1:1);2-Mercaptobenzothiazole, monoethanolammonium salt;N-(2-HYDROXYETHYL)AMMONIUMBENZOTHIAZOLE-2-THIOLATE |
N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate Chemical Properties
IUPAC Name: 2-Aminoethanol; 3H-1,3-benzothiazole-2-thione
Synonyms of N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate (CAS NO.5902-85-2): 2-Mercaptobenzothiazole ethanolamine salt (1:1) ; 2-Mercaptobenzothiazole, monoethanolammonium salt ; Monoethanolammonium 2-mercaptobenzothiazolate ; Monoethanolammonium 2-mercaptobenzothiazole ; 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) ; Benzothiazole-2(3H)-thione, compound with 2-aminoethanol (1:1) ; Ethanol, 2-amino-, compd. with 2-benzothiazolethiol (1:1) (8CI)
InChI: InChI=1/C7H5NS2.C2H7NO/c9-7-8-5-3-1-2-4-6(5)10-7;3-1-2-4/h1-4H,(H,8,9);4H,1-3H2
InChIKey: BGZRCNAAUWQNRX-UHFFFAOYAG
Std. InChI: InChI=1S/C7H5NS2.C2H7NO/c9-7-8-5-3-1-2-4-6(5)10-7;3-1-2-4/h1-4H,(H,8,9);4H,1-3H2
Std. InChIKey: BGZRCNAAUWQNRX-UHFFFAOYSA-N
CAS NO: 5902-85-2
Molecular Formula: C9H12N2OS2
Molecular Weight: 228.3344
Molecular Structure : .png)
EINECS: 227-597-2
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 60.63 Å2
Flash Point: 138.3 °C
Enthalpy of Vaporization: 54.54 kJ/mol
Boiling Point: 305 °C at 760 mmHg
Vapour Pressure: 0.000844 mmHg at 25°C
N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 631mg/kg (631mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | International Journal of Toxicology. Vol. 16(Suppl, |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | International Journal of Toxicology. Vol. 16(Suppl, |
N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate Safety Profile
Moderately toxic by ingestion. A severe eye irritant. When N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate (CAS NO.5902-85-2) is heated to decomposition, it emits toxic vapors of NOx and SOx.
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