nonanedinitrile

• ChemBase ID: 295546
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: C(CCCC#N)CCCC#N
• Canonical SMILES: N#CCCCCCCCC#N
• InChI: InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2
• InChIKey: QXOYPGTWWXJFDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonanedinitrile
• IUPAC Traditional name: nonanedinitrile
• Synonyms: 1,7-Dicyanoheptane; Nonanedinitrile; Azelanitrile; 壬二氰

Database IDs

• CAS Number: 1675-69-0
• EC Number: 216-824-0
• MDL Number: MFCD00001984
• Beilstein Number: 1747968
• PubChem SID: 180681077
• PubChem CID: 74295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9402581
• LogD (pH = 7.4): 1.9402581
• Log P: 1.9402581
• Molar Refractivity: 44.5006 cm^3
• Polarizability: 16.988792 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 175-176°C/11mm
• Flash Point: >110°C(230°F)
• Density: 0.923
• Refractive Index: 1.4460

Safety Information

• European Hazard Symbols: X
• UN Number: UN3276
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21/22
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280-P302+P352-P322-P301+P312-P312-P501A

Product Information

• Purity: 97%