bicyclo[2.2.1]hept-2-ene

• ChemBase ID: 103431
• Molecular Formular: C7H10
• Molecular Mass: 94.1543
• Monoisotopic Mass: 94.07825032
• SMILES: C1CC2CC1C=C2
• Canonical SMILES: C1CC2CC1C=C2
• InChI: InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2
• InChIKey: JFNLZVQOOSMTJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]hept-2-ene
• IUPAC Traditional name: norbornene
• Synonyms: Bicyclo[2.2.1]heptene; Norbornene; Norbornylene; Bicyclo[2.2.1.]-2-heptene; NORBORNENE; Bicyclo[2.2.1]hept-2-ene; 降冰片烯

Database IDs

• CAS Number: 498-66-8
• EC Number: 207-866-0
• MDL Number: MFCD00082304
• Beilstein Number: 1098544
• PubChem SID: 162090941
• PubChem CID: 10352

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.971234
• LogD (pH = 7.4): 1.971234
• Log P: 1.971234
• Molar Refractivity: 31.4166 cm^3
• Polarizability: 11.953935 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44-47°C
• Boiling Point: 95-96°C
• Flash Point: -15°C(5°F)

Safety Information

• Storage Condition: 2-8°C
• RTECS: RB7900000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Irritant (Xi)
• UN Number: UN1325
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-36-51/53
• Safety Statements: 16-26-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Hazard statements: H228-H319-H411-H401
• GHS Precautionary statements: P210-P273-P305+P351+P338-P337+P313

Product Information

• Purity: 98%; 99%

DETAILS

MP Biomedicals - 02151774

Purity: 99%