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| CAS No.: | 2637-37-8 |
|---|---|
| Name: | 2-QUINOLINETHIOL |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7 N S |
| Molecular Weight: | 161.227 |
| Synonyms: | Carbostyril,thio- (6CI,7CI,8CI);2-Mercaptoquinoline;2-Quinolinethiol;2-Quinolinethione;2-Thioquinoline;2-Thioquinolone;NSC 408468;NSC 43642;Thiocarbostyril; |
| EINECS: | 220-132-4 |
| Density: | 1.27g/cm3 |
| Melting Point: |
174-176 °C(lit.) |
| Boiling Point: | 261.1°Cat760mmHg |
| Flash Point: | 111.7°C |
| Solubility: | Soluble in water. (50 g/L at 20°C) |
| Hazard Symbols: |
|
| Risk Codes: | 36/37/38 |
| Safety: | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx. |
| PSA: | 51.69000 |
| LogP: | 2.52350 |
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Chemistry
Empirical Formula: C9H7NS
Molecular Weight: 161.2236 g/mol
EINECS: 220-132-4
Index of Refraction: 1.707
Density: 1.27 g/cm3
Flash Point: 111.7 °C
Enthalpy of Vaporization: 49.89 kJ/mol
Boiling Point: 261.1 °C at 760 mmHg
Vapour Pressure: 0.0117 mmHg at 25 °C
Melting point: 174-176 °C(lit.)
The structure of 2-Quinolinethiol (CAS NO.2637-37-8):
IUPAC Name: 1H-Quinoline-2-thione
Canonical SMILES: C1=CC=C2C(=C1)C=CC(=S)N2
InChI: InChI=1S/C9H7NS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
InChIKey: KXZSVYHFYHTNBI-UHFFFAOYSA-N
Product Categories of 2-Quinolinethiol (CAS NO.2637-37-8): Heterocyclic Building Blocks;Quinolines
Toxicity Data With Reference
| 1. | ipr-mus LD50:450 mg/kg | RAREAE Radiation Research. 7 (1957),13. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition 2-Quinolinethiol (CAS NO.2637-37-8) emits toxic vapors of NOx and SOx.
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
Specification
2-Quinolinethiol ,its cas register number is 2637-37-8. It also can be called 2(1H)-Quinolinethione ; and Carbostyril, thio- (VAN) (8CI) .