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54585-47-6

54585-47-6 structure
54585-47-6 structure

Name 3-Cyano-4,6-Dimethyl-2-Mercaptopyridine
Synonyms 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
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

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
Risk Phrases 36/37/38
Safety Phrases S22-S24/25
RIDADR UN 3276
RTECS US4201380
Packaging Group III
HS Code 2933399090

~96%

54585-47-6 structure

54585-47-6

Literature: Narushyavichus, E. V.; Garalene, V. N.; Krauze, A. A.; Dubur, G. Ya. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 12 p. 983 - 986 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 12 p. 1459 - 1463

~%

54585-47-6 structure

54585-47-6

Literature: US4631081 A1, ;

~90%

54585-47-6 structure

54585-47-6

Literature: Negm, Abdalla M.; El-Aal, Fatma Abd El-Maksoud Abd; Hafez, Ebtisam A.; Elnagdi, Mohamed H.; Mostafa, Yasser M. N. Phosphorus, Sulfur and Silicon and the Related Elements, 1995 , vol. 106, # 1-4 p. 1 - 8

~79%

54585-47-6 structure

54585-47-6

Literature: Dyachenko; Chernega Russian Journal of Organic Chemistry, 2004 , vol. 40, # 3 p. 397 - 406

~85%

54585-47-6 structure

54585-47-6

Literature: Dyachenko; Chernega Russian Journal of Organic Chemistry, 2004 , vol. 40, # 3 p. 397 - 406

~98%

54585-47-6 structure

54585-47-6

Literature: Ratemi; Namdev; Gibson Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 6 p. 1513 - 1516
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%