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| Name |
Pyrazineethanethiol |
EINECS | N/A |
| CAS No. | 35250-53-4 | Density | 1.142 g/cm3 |
| PSA | 64.58000 | LogP | 0.94890 |
| Solubility | Partly soluble in water, soluble in most organic solvents. | Melting Point |
N/A |
| Formula | C6H8N2S | Boiling Point | 241 °C at 760 mmHg |
| Molecular Weight | 140.209 | Flash Point | 99.6 °C |
| Transport Information | UN 2810 6.1/PG 3 | Appearance | N/A |
| Safety | 36/37-45 | Risk Codes | 25-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
Pyrazineethanethiol(9CI);2-(Pyrazin-2-yl)ethanethiol;2-Pyrazinylethylmercaptan;2-Pyrazine ethanethiol; |
Pyrazineethanethiol Chemical Properties
Molecular Structure of 2-Pyrazineethanethiol (CAS NO.35250-53-4):
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IUPAC Name: 2-Pyrazin-2-ylethanethiol
Molecular Formula: C6H8N2S
Molecular Weight: 140.21
FEMA: 3230
Index of Refraction: 1.563
Molar Refractivity: 39.88 cm3
Molar Volume: 122.7 cm3
Surface Tension: 48.5 dyne/cm
Density: 1.142 g/cm3
Flash Point: 99.6 °C
Enthalpy of Vaporization: 45.86 kJ/mol
Boiling Point: 241 °C at 760 mmHg
Vapour Pressure: 0.0569 mmHg at 25 °C
storage temp.: Refrigerator
Canonical SMILES: C1=CN=C(C=N1)CCS
InChI: InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2
InChIKey: QKVWBAMZPUHCMO-UHFFFAOYSA-N
Product Categories: API intermediates; Pyrazines; Chloropyrazines, etc.; pyrazine Flavor
Pyrazineethanethiol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 158mg/kg (158mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 487, 1975. |
Pyrazineethanethiol Consensus Reports
Reported in EPA TSCA Inventory.
Pyrazineethanethiol Safety Profile
Poison by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Safety Information of 2-Pyrazineethanethiol (CAS NO.35250-53-4):
Hazard Codes: 
T
Risk Statements: 25-36/37/38
R25: Toxic if swallowed ;
R36/37/38: Irritating to eyes, respiratory system and skin ;
Safety Statements: 36/37-45
S36/37: Wear suitable protective clothing and gloves ;
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) ;
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: KJ2551000
HazardClass: 6.1
PackingGroup: III
Pyrazineethanethiol Specification
2-Pyrazineethanethiol (CAS NO.35250-53-4), its Synonyms are 2-Pyrazinylethanethiol ; 2-Pyrazinylethylmercaptan ; Pyrazineethanethiol ; Pyrazinyl ethanethiol ; Ethanethiol, 2-pyrazinyl- ; 2-Mercaptoethyl pyrazine .
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