4,6-dimethyl-2-sulfanylnicotinonitrile
Names
[ CAS No. ]:
54585-47-6
[ Name ]:
4,6-dimethyl-2-sulfanylnicotinonitrile
[Synonym ]:
4,6-dimethyl-2-sulfanylnicotinonitrile
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
4,6-Dimethyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-
MFCD00051684
3-pyridinecarbonitrile, 2-mercapto-4,6-dimethyl-
4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
249.8±43.0 °C at 760 mmHg
[ Melting Point ]:
274ºC (dec.)
[ Molecular Formula ]:
C8H8N2S
[ Molecular Weight ]:
164.227
[ Flash Point ]:
104.9±28.2 °C
[ Exact Mass ]:
164.040817
[ PSA ]:
75.48000
[ LogP ]:
1.18
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.609
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- US4201380
- CHEMICAL NAME :
- 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-
- CAS REGISTRY NUMBER :
- 54585-47-6
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H8-N2-S
- MOLECULAR WEIGHT :
- 164.24
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,313,1985
Safety Information
[ Risk Phrases ]:
36/37/38
[ Safety Phrases ]:
S22-S24/25
[ RIDADR ]:
UN 3276
[ RTECS ]:
US4201380
[ Packaging Group ]:
III
[ HS Code ]:
2933399090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933399090
[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%