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Furo[3,2-c]pyridine,2,3-dihydro- structure
Furo[3,2-c]pyridine,2,3-dihydro- structure

Furo[3,2-c]pyridine,2,3-dihydro-

Iupac Name:1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CAS No.:7235-40-7
Molecular Weight:536.87264
1. Names and Identifiers
1.1 Name
Furo[3,2-c]pyridine,2,3-dihydro-
1.2 Synonyms

193605-29-7 2,3-Dihydrofuro[3,2-c]pyridine 3-dihydro-5-azabenzofuran CS-0091894 Furo[3,2-c]pyridine, 2,3-dihydro- ZINC34579119

1.3 CAS No.
7235-40-7
1.4 CID
5280489
1.5 Molecular Formula
C9H5NO2 (isomer)
1.6 Inchi
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
1.7 InChkey
OENHQHLEOONYIE-JLTXGRSLSA-N
1.8 Canonical Smiles
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
1.9 Isomers Smiles
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C
2. Properties
3.1 Melting Point
178-179℃
3.2 Vapour
1.8X10-11 mm Hg at 25 deg C (est)
3.3 Refractive Index
1.565
3. Safety and Handling
4.1 Risk Statements
R44
4.2 Safety Statements
S7;S15;S18
4.3 HazardClass
4.1
4.4 PackingGroup
II; III
4.5 Transport
250mg/can
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:536.87264g/mol
  • Molecular Formula:C9H5NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:536.438201786
  • Monoisotopic Mass:536.438201786
  • Complexity:1120
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:40
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:9
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
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