IUPAC Name: 4H-Thieno[3,2-b]pyridin-7-one
Canonical SMILES: C1=CNC2=C(C1=O)SC=C2
InChI: InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)
InChIKey: AACVULYSNJAKEQ-UHFFFAOYSA-N
Molecular Weight: 151.1857 [g/mol]
Molecular Formula: C7H5NOS
XLogP3-AA: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Product Categories: C7 and C8; Heterocyclic Building Blocks; Pyridines
Index of Refraction: 1.633
Molar Refractivity: 39.89 cm3
Molar Volume: 111.5 cm3
Surface Tension: 51.1 dyne/cm
Density: 1.355 g/cm3
Flash Point: 120.8 °C
Enthalpy of Vaporization: 51.46 kJ/mol
Boiling Point: 276.1 °C at 760 mmHg
Vapour Pressure: 0.0049 mmHg at 25 °C
Melting Point of Thieno[3,2-b]pyridin-7-ol (CAS NO.107818-20-2): 230-235 °C(lit.)
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany of Thieno[3,2-b]pyridin-7-ol (CAS NO.107818-20-2): 3
Thieno[3,2-b]pyridin-7-ol (CAS NO.107818-20-2), its Synonyms are Thieno[3,2-b]pyridin-7(4H)-one ; 7-Hydroxythieno[3,2-b]pyridine .
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