ChemicalBook--->CAS DataBase List--->17452-27-6

17452-27-6

17452-27-6 Structure

17452-27-6 Structure
IdentificationBack Directory
[Name]

3-PYRIDYL ISOTHIOCYANATE
[CAS]

17452-27-6
[Synonyms]

BUTTPARK 33\08-09
TIMTEC-BB SBB004201
3-ISOTHIOCYANATOPYRIDINE
3-PYRIDYL ISOTHIOCYANATE
Pyridyl-3-isothiocyanate
PYRIDINE-3-ISOTHIOCYANATE
3-pyridinyl isothiocyanate
Pyridin-3-yl isothiocyanate
Pyridine, 3-isothiocyanato-
3-Pyridyl isothiocyanate 98%
Isothiocyanic Acid 3-Pyridyl Ester
3-Pyridyl isothiocyanate, derivatization grade
3-Pyridyl isothiocyanate, 95%, derivatization grade
[Molecular Formula]

C6H4N2S
[MDL Number]

MFCD00052351
[MOL File]

17452-27-6.mol
[Molecular Weight]

136.17
Chemical PropertiesBack Directory
[Melting point ]

106.5-108 °C
[Boiling point ]

231-233 °C(lit.)
[density ]

1.22 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.665(lit.)
[Fp ]

229 °F
[storage temp. ]

0-10°C
[form ]

clear liquid
[pka]

2.38±0.11(Predicted)
[color ]

Colorless to Light orange to Yellow
[λmax]

282nm(Dioxane)(lit.)
[InChI]

1S/C6H4N2S/c9-5-8-6-2-1-3-7-4-6/h1-4H
[InChIKey]

VMSZFBSYWXMXRF-UHFFFAOYSA-N
[SMILES]

S=C=Nc1cccnc1
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302+H332-H315-H319-H335-H314
[Precautionary statements ]

P280-P305+P351+P338-P310-P261-P264-P270-P271-P301+P312+P330-P302+P352+P332+P313+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P233-P405-P501
[Hazard Codes ]

C,Xi
[Risk Statements ]

34
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 3334
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333990
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Hazard InformationBack Directory
[Chemical Properties]

Yellow liquid
[Uses]

3-Pyridyl isothiocyanate (Py NCS) is an iothiocyanate derivative. Its enthalpy of vaporization at boiling point (505.15K) is 44.379kjoule/mol.
[General Description]

3-Pyridyl isothiocyanate (Py NCS) is an iothiocyanate derivative. Its enthalpy of vaporization at boiling point (505.15K) is 44.379kjoule/mol.
Spectrum DetailBack Directory
[Spectrum Detail]

3-PYRIDYL ISOTHIOCYANATE(17452-27-6)1HNMR
3-PYRIDYL ISOTHIOCYANATE(17452-27-6)1HNMR
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