5-Phenyl-1,3,4-oxadiazole-2(3H)-thione

Names

[ Name ]:
5-Phenyl-1,3,4-oxadiazole-2(3H)-thione

[Synonym ]:
2-mercapto-5-phenyl-1,3,4-oxodiazole
MFCD02816988
2-phenyl-5-mercapto-1,3,4-oxadiazole
5-Phenyl-1,3,4-oxadiazole-2(3H)-thione
2-Phenyl-1,3,4-oxadiazole-5-thiol
1,3,4-oxadiazole-2-thiol,5-phenyl
EINECS 221-103-9
5-Phenyl-1,3,4-oxadiazole-2-thiol
2-Mercapto-5-phenyl-1,3,4-oxadiazole
5-phenyl-1,3,4-oxadiazol-2-thione
2-metcapto-5-phenyl-1,3,4-oxadiazole
1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl-

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
306.9±25.0 °C at 760 mmHg

[ Melting Point ]:
219-222 °C(lit.)

[ Molecular Formula ]:
C₈H₆N₂OS

[ Molecular Weight ]:
178.211

[ Flash Point ]:
139.4±23.2 °C

[ Exact Mass ]:
178.020081

[ PSA ]:
73.91000

[ LogP ]:
2.87

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.612

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RO0829900

CHEMICAL NAME :: 1,3,4-Oxadiazole-5-thiol, 2-phenyl-

CAS REGISTRY NUMBER :: 3004-42-0

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H6-N2-O-S

MOLECULAR WEIGHT :: 178.22

WISWESSER LINE NOTATION :: T5NN DOJ CR& ESH

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 :: 387 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,629,1958

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
RO0829900

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%