ChemicalBook--->CAS DataBase List--->96989-50-3

96989-50-3

96989-50-3 Structure

96989-50-3 Structure
IdentificationMore
[Name]

DI-2-PYRIDYL THIONOCARBONATE
[CAS]

96989-50-3
[Synonyms]

DI-2-PYRIDYL THIONOCARBONATE
O,O'-DI-2-PYRIDYL THIOCARBONATE
THIOCARBONIC ACID O,O'-DI-2-PYRIDYL ESTER
Di-2-pyridylthionocarbonate,98%
[Molecular Formula]

C11H8N2O2S
[MDL Number]

MFCD00074870
[Molecular Weight]

232.26
[MOL File]

96989-50-3.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow to brown crystalline powder
[Melting point ]

94-98 °C(lit.)
[Boiling point ]

359℃
[density ]

1.340
[Fp ]

171℃
[storage temp. ]

−20°C
[form ]

Crystalline Powder
[pka]

0.11±0.12(Predicted)
[color ]

Yellow to brown
[Water Solubility ]

Soluble in water 9280 g/L).
[BRN ]

4314435
[InChI]

InChI=1S/C11H8N2O2S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H
[InChIKey]

IKYOVSVBLHGFMA-UHFFFAOYSA-N
[SMILES]

C(=S)(OC1=NC=CC=C1)OC1=NC=CC=C1
[CAS DataBase Reference]

96989-50-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 .
[WGK Germany ]

3
[F ]

4.4-10-21
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dichloromethane-->Triethylamine-->Thiophosgene-->2-Hydroxypyridine-->1-Butyl-3-phenyl-2-thiourea
[Preparation Products]

3-Phenylpropyl isothiocyanate-->4-(Dimethylamino)phenyl isothiocyanate-->3-Nitrophenyl isothiocyanate-->3-(Trifluoromethyl)phenyl isothiocyanate-->4-(Trifluoromethyl)phenyl isothiocyanate-->3-Methylbenzyl isothiocyanate-->3-Chlorobenzyl isothiocyanate-->(2-Isothiocyanatoethyl)thio]benzene-->1-Benzoyl-4-phenyl-3-thiosemicarbazide
Hazard InformationBack Directory
[Chemical Properties]

Yellow to brown crystalline powder
[Uses]

Di-2-pyridyl thionocarbonate is used in the synthesis of 10-des(carbamoyloxy)-10-isothiocyanatoporfiromycin. It is also used as a substitute of thiophosgene, in the preparation of isothiocyanate.
Spectrum DetailBack Directory
[Spectrum Detail]

DI-2-PYRIDYL THIONOCARBONATE(96989-50-3)1HNMR
DI-2-PYRIDYL THIONOCARBONATE(96989-50-3)IR
DI-2-PYRIDYL THIONOCARBONATE(96989-50-3)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Di-2-pyridyl thionocarbonate, 97%(96989-50-3)
[Alfa Aesar]

Di-2-pyridyl thionocarbonate, 98%(96989-50-3)
[Sigma Aldrich]

96989-50-3(sigmaaldrich)
[TCI AMERICA]

O,O'-Di-2-pyridyl Thiocarbonate,>97.0%(N)(96989-50-3)
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