Encyclopedia / Pharmaceutical Intermediates / Agrochemical Intermediates

furo[3,2-b]pyridine

CAS：272-62-8
MW:119.12
MF：C7H5NO

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Names and ldentifier
Properties
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: furo[3,2-b]pyridine

1.2 Synonyms: 4-Azabenzo[b]furan; 4-Azabenzo[b]furan, 4-Aza-1-benzofuran;

1.3 CAS No.: 272-62-8

1.4 CID: 12210217

1.5 Molecular Formula: C7H5NO

1.6 Inchi: InChI=1S/C7H5NO/c1-2-7-6(8-4-1)3-5-9-7/h1-5H

1.7 InChkey: YRTCKZIKGWZNCU-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC2=C(C=CO2)N=C1

1.9 Isomers Smiles: C1=CC2=C(C=CO2)N=C1

2. Properties

2.1 Storage: Ambient temperatures.

2.2 pKa: 4.22±0.30(Predicted)

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

View all

4. Synthesis Route

272-62-8Total: 14 Synthesis Route

874-24-8 116 Suppliers

272-62-8 12 Suppliers

92671-70-0

272-62-8 12 Suppliers

View all

5. Precursor and Product

precursor:

107096-01-5

39511-08-5

56473-91-7

56473-96-2

874-24-8

79108-72-8

73406-50-5

92671-70-0

95837-09-5

92404-63-2

product:

112372-14-2

56473-91-7

181526-18-1

112372-11-9

182691-75-4

112372-08-4

52605-89-7

95837-09-5

182691-69-6

92404-63-2

6. Computed Properties

Molecular Weight：119.12g/mol
Molecular Formula：C₇H₅NO
Compound Is Canonicalized：True
Exact Mass：1.3
XLogP3-AA：119.037113783
Monoisotopic Mass：119.037113783
Complexity：105
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26
Heavy Atom Count：：9
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBiIAAAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAFgB+AAAHgAAAAAACAzhlgY8xrIIFECoAbx3xASCiCA3YiAI2CG/bNgOJvrEtbuHOajmwBnY6ce8yCCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==