Furo[3,2-b]pyridine, 2-methyl-
- Iupac Name：2-methylfuro[3,2-b]pyridine
- CAS No.: 52605-89-7
- Molecular Weight：133.15
- Modify Date.: 2023-03-19 00:55
1. Names and Identifiers
- 1.1 Name
- Furo[3,2-b]pyridine, 2-methyl-
- 1.2 Synonyms
2-METHYL-FURO[3,2-B]PYRIDINE 2-methylfuro[3,2-b]pyridine CTK1G2393 DTXSID10544263 MFCD13175796
- 1.3 CAS No.
- 52605-89-7
- 1.4 CID
- 13580283
- 1.5 Molecular Formula
- C8H7NO (isomer)
- 1.6 Inchi
- InChI=1S/C8H7NO/c1-6-5-7-8(10-6)3-2-4-9-7/h2-5H,1H3
- 1.7 InChIkey
- OQZVRWIFADZMTL-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC1=CC2=C(O1)C=CC=N2
- 1.9 Isomers Smiles
- CC1=CC2=C(O1)C=CC=N2
2. Properties
- 2.1 Density
- 1.1±0.1 g/cm3 (Predicted)
- 2.1 Boiling point
- 208.5±20.0 °C at 760 mmHg (Predicted)
- 2.1 Refractive index
- 1.594 (Predicted)
- 2.1 Flash Point
- 79.9±15.8 °C (Predicted)
- 2.1 PSA
- 26.03000
- 2.1 logP
- 1.76 (Predicted)
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Synthesis Route
52605-89-7Total: 8 Synthesis Route
6. Computational chemical data
- Molecular Weight: 133.15g/mol
- Molecular Formula: C8H7NO
- Compound Is Canonicalized: True
- XLogP3-AA: 1.7
- Exact Mass: 133.052763847
- Monoisotopic Mass: 133.052763847
- Complexity: 126
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 26
- Heavy Atom Count: 10
- 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: AAADcYByIAAAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAFgB+AAAHgAAAAAACAzBlgQ+xrIIFECoAbR3RASCiCA3YiAI2CG/bNgOJvrEtbuHOajmwBnY6ce8yKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Realated Product Infomation
![Furo[3,2-b]pyridine, 2-methyl- structure](http://structimg.guidechem.com/10/10/711489.png)
skype
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