Bicyclo(2.2.1)hept-5-ene-2-carboxaldehyde (HCID 95117)

Names & identifiers

Preferred name: Bicyclo(2.2.1)hept-5-ene-2-carboxaldehyde
IUPAC: bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
English name: 5-Norbornene-2-carboxaldehyde
Molecular formula: C8H10O
Molecular weight: 122.16

Names & synonyms

5-Norbornene-2-carboxaldehyde5453-80-5Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde2-Formyl-5-norbornene5-Formylbicyclohept-2-ene5-Norbornane-2-carboxaldehydeEINECS 226-698-9NSC 188975-Formylbicyclo-2-hepteneAI3-10023Bicyclo(2.2.1)hept-5-ene-2-carboxaldehydeDTXSID20884162

Show more names

5-NORBORNENE-2-CARBALDEHYDEAKOS BC-0598TIMTEC-BB SBB0057555-Formyl-2-norbornene.2-Formylnorborna-5-ene2- aldehyde 5-norbornene

Bicyclo[2.2.1]hept-5-en-2-aldehydeBicyclo[2.2.1]-5-hepten-2-yl-methanalBicyclo(2.2.1)hept-5-en-2-aldehydeBicyclo(2.2.1)-5-hepten-2-yl-methanalRefChem:119674DTXCID901001719AJIBZRIAUXVGQJ-UHFFFAOYSA-NBicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Database identifiers

CAS: 5453-80-5
PubChem CID: 95117
DTXSID: DTXSID20884162
ChEMBL: CHEMBL4549018
EC Number: 226-698-9
Nikkaji: J218F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 160

Physicochemical properties

Boiling point: 67 · 67-70 °C12 mm Hg(lit.)
Density: 1.03 g/mL · 1.03 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.490(lit.)
Flash point: 123 °F · 123 °F
storage temp.: Flammables area
form: Powder
Specific Gravity: 1.032 · 1.032
color: White to yellow to beige
Water Solubility: insoluble
BRN: 1363813 · 1363813
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
SMILES: C12CC(C=C1)CC2C=O
CAS DataBase Reference: 5453 · 5453-80-5(CAS DataBase Reference)
NIST Chemistry Reference: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde(5453-80-5)
EPA Substance Registry System: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde (5453-80-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 23 · 23-37/39-26-16
RIDADR: 1989 · UN 1989 3/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29122990 · 29122990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1989 3/PG 3
hs_code: 29122990
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: Xi
safety_code: 23-37/39-26-16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2-carboxaldehyde: INACTIVE

Applications · 1 item

Uses5-Norbornene-2-carboxaldehyde was used in transition metal-catalyzed synthesis of norbornene-derived homopolymers having pendent t-Boc-protected quinizarin moieties for patterned fluorescence images. It acts as Diels-Alder adduct of acrolein and cyclopentadiene. It can be used as protected form of acrolein, from which the double bond may be liberated by cycloreversion, e.g. in a useful synthesis of 2-vinylimidazole.