bicyclo[2.2.1]heptan-2-one

• ChemBase ID: 104438
• Molecular Formular: C7H10O
• Molecular Mass: 110.1537
• Monoisotopic Mass: 110.07316494
• SMILES: O=C1CC2CCC1C2
• Canonical SMILES: O=C1CC2CC1CC2
• InChI: InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2
• InChIKey: KPMKEVXVVHNIEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]heptan-2-one
• IUPAC Traditional name: @norcamphor; norcamphor
• Synonyms: Bicyclo[2.2.1]heptan-2-one; 2-Norbornanone; NORCAMPHOR; Norcamphor; 降樟脑

Database IDs

• CAS Number: 497-38-1
• EC Number: 207-846-1
• MDL Number: MFCD00074823
• Beilstein Number: 1209657
• PubChem SID: 162092485
• PubChem CID: 10345

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4099051
• LogD (pH = 7.4): 1.4099051
• Log P: 1.4099051
• Molar Refractivity: 30.9673 cm^3
• Polarizability: 12.236553 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92-97°C
• Boiling Point: 172-174°C
• Flash Point: 33°C(91°F)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: RB7680000
• European Hazard Symbols: Flammable (F)
• UN Number: UN1325
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Hazard statements: H228
• GHS Precautionary statements: P210-P241-P280-P240-P370+P378A

Product Information

• Purity: >95%; 98+%

DETAILS

MP Biomedicals - 02155943

(Bicyclo[2.2.1]heptan-2-one;2-Norbornanone) Purity: >95% Crystalline