-
Name
4-[(5-chloro-2-oxo-2H-benzothiazol-3-yl)acetyl]piperazine-1-ethanol monohydrochloride
- EINECS
- CAS No. 35941-71-0
- Density g/cm3
- Solubility Completely soluble in water
- Melting Point 159-161°
- Formula C15H18 Cl N3 O3 S . Cl H
- Boiling Point 605.8°Cat760mmHg
- Molecular Weight 392.33
- Flash Point 320.2°C
- Transport Information
- Appearance
- Safety Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. An experimental teratogen. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1-Piperazineethanol,4-[(5-chloro-2-oxo-3(2H)-benzothiazolyl)acetyl]-, monohydrochloride (9CI); FK1160; NTA 194; RHC 2592; Solantal; Tiaramide hydrochloride
- PSA 94.02000
- LogP 1.53070
4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride Chemical Properties
Molecule structure of 4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride (CAS NO.35941-71-0) :
IUPAC Name: 5-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one hydrochloride
Molecular Weight: 392.30066 g/mol
Molecular Formula: C15H19Cl2N3O3S
Boiling Point: 605.8 °C at 760 mmHg
Flash Point: 320.2 °C
Enthalpy of Vaporization: 94.7 kJ/mol
Vapour Pressure: 1.58E-15 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 391.052418
MonoIsotopic Mass: 391.052418
Topological Polar Surface Area: 64.1
Heavy Atom Count: 24
Complexity: 459
Canonical SMILES: C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O.Cl
InChI: InChI=1S/C15H18ClN3O3S.ClH/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20;/h1-2,9,20H,3-8,10H2;1H
InChIKey: UKNGDQSYPNBJAO-UHFFFAOYSA-N
EINECS of 4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride (CAS NO.35941-71-0) : 252-802-7
4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride Toxicity Data With Reference
| 1. | eye-rbt 200 mg rns MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),724. | ||
| 2. | orl-rat LD50:2300 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 32 (1982),225. | ||
| 3. | ipr-rat LD50:530 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),451. | ||
| 4. | scu-rat LD50:930 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
| 5. | ivn-rat LD50:203 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
| 6. | orl-mus LD50:564 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
| 7. | ipr-mus LD50:298 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
| 8. | scu-mus LD50:375 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. | ||
| 9. | ivn-mus LD50:178 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),504. |
4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride Safety Profile
Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. An experimental teratogen. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride Specification
4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride (CAS NO.35941-71-0) is also called 2-Benzothiazolinone, 5-chloro-3-(4-(2-hydroxyethyl)-1-piperazinyl)carbonylmethyl-, HCl ; 4-((5-Chloro-2-oxo-3-benzothiazolinyl)acetyl)-1-piperazineethanol monohydrochloride ; 5-Chloro-3-(4-(2-hydroxyethyl)-1-piperazinyl)carbonylmethyl-2-benzothiazolinone hydrochloride ; FK 1160 ; NSC 289337 ; NTA-194 ; Solantal ; Thiaramide [German] ; Tiaramide HCl ; Tiaramide hydrochloride ; Tiaramide hydrochloride-r ; USV 2592 HCl ; Ventaval tabletten . 4-((5-Chloro-2-oxo-3(2H)-benzothiazol-yl) acetyl)-1-piperazineethanol hydrochloride (CAS NO.35941-71-0) is moderate toxic. It is flammable. It will produce toxic chloride, sulfur oxide and nitrogen oxide gaseswhen buring. So the storage environment should be ventilate, low-temperature and dry.
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