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5453-80-5

Basic Information
CAS No.: 5453-80-5
Name: 5-Norbornene-2-carboxaldehyde
Article Data: 82
Molecular Structure:
Molecular Structure of 5453-80-5 (5-Norbornene-2-carboxaldehyde)
Formula: C8H10O
Molecular Weight: 122.167
Synonyms: 5-Norbornene-2-carboxaldehyde(6CI,7CI,8CI);2,5-Endomethylene-1,2,5,6-tetrahydrobenzaldehyde;2-Formylbicyclo[2.2.1]hept-5-ene;2-Norbornene-5-carboxaldehyde;5-Formyl-2-norbornene;Bicyclo[2.2.1]hept-2-ene-5-carboxaldehyde;Bicyclo[2.2.1]hept-2-enyl-5-carboxaldehyde;NSC 18897;
EINECS: 226-698-9
Density: 1.162 g/cm3
Boiling Point: 182.2 °C at 760 mmHg
Flash Point: 58 °C
Solubility: insoluble in water
Appearance: clear colorless to yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 10-36/37/38
Safety: 23-37/39-26-16
Transport Information: UN 1989 3/PG 3
PSA: 17.07000
LogP: 1.39750
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Chemistry

Molecule structure of 5-Norbornene-2-carboxaldehyde (CAS NO.5453-80-5) :

IUPAC Name: bicyclo[2.2.1]hept-2-ene-6-carbaldehyde 
Molecular Weight: 122.1644 g/mol
Molecular Formula: C8H10
Density: 1.162 g/cm3 
Boiling Point: 182.2 °C at 760 mmHg 
Flash Point: 58 °C
Refractive index n20/D 1.490(lit.)
Storage temp.: flammables area
Water Solubility: insoluble 
Appreance: clear colorless to yellow liquid
Molar Volume: 105 cm3
Polarizability: 14.48*10-24 cm3
Surface Tension: 47 dyne/cm 
Enthalpy of Vaporization: 41.85 kJ/mol
Vapour Pressure: 0.819 mmHg at 25 °C
XLogP3-AA: 1.1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 122.073165
MonoIsotopic Mass: 122.073165
Topological Polar Surface Area: 17.1
Heavy Atom Count: 9
Complexity: 160
Canonical SMILES: C1C2CC(C1C=C2)C=O
InChI: InChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2
InChIKey: AJIBZRIAUXVGQJ-UHFFFAOYSA-N
EINECS: 226-698-9
Product Categories of 5-Norbornene-2-carboxaldehyde (CAS NO.5453-80-5) : Norbornene Derivatives

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 10-36/37/38 
R10: Flammable 
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 23-37/39-26-16
S23: Do not breathe vapour
S37/39: Wear suitable gloves and eye/face protection
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
S16: Keep away from sources of ignition
RIDADR: UN 1989 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III

Specification

 5-Norbornene-2-carboxaldehyde (CAS NO.5453-80-5) is also called 2-Formyl-5-norbornene ; 5-Formylbicyclo-2-heptene ; 5-Formylbicyclohept-2-ene ; 5-Norbornane-2-carboxaldehyde ; 5-norbornene-2-carboxaldehyde,mixtureofendoandexo ; Bicyclo[2.2.1]hept-5-en-2-aldehyde .