Productschevron_right
Benzene Compoundschevron_right
1210-12-4

1210-12-4

9-Anthracenecarbonitrile

Synonyms
  • 9-Anthracenecarbonitrile
  • 9-Cyanoanthracene
  • 1210-12-4
  • anthracene-9-carbonitrile
  • 9-Anthronitrile
Molecular Formula
C15H9N

Get a free no-obligation quote

We typically respond within 30 minutes during business hours!

call
email
science

Identifying information of the product such as name, CAS number, structure or description

description

Approx. quantity, purity, specifications, monthly order or one-off etc

Molecular Formula
C15H9N
Iupac Name
anthracene-9-carbonitrile
Dtp Nci Cas Number
1210-12-4
Canonical Smiles
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C#N
StdInChi
InChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H
StdInChiKey
KEQZHLAEKAVZLY-UHFFFAOYSA-N
Appearance
solid
Molecular Weight
203.24
Exact Mass
203.073499291
Average Mass
203.239 Da
Monoisotopic Mass
203.073499291
Boiling Point
413.8±14.0 °C at 760 mmHg
Experimental Melting Point
175 °C
Flash Point
205.4±12.6 °C
Density
1.2±0.1 g/cm3
Vapour Pressure
0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization
66.7±3.0 kJ/mol
Refractive Index
1.720
Molar Refractivity
66.4±0.4 cm3
Polar Surface Area
23.8 Ų
Polarizability
26.3±0.5 10-24cm3
Surface Tension
57.2±5.0 dyne/cm
Molar Volume
168.3±5.0 cm3
Experimental Logp
3.374
Acd LogP
4.12
Acd LogD Ph55
4.29
Acd Bcf Ph55
1076.57
Acd Koc Ph55
5151.52
Acd LogD Ph74
4.29
Acd Bcf Ph74
1076.57
Acd Koc Ph74
5151.52
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Heavy Atom Count
16
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently Bonded Unit Count
1
H Bond Acceptors
1
H Bond Donors
0
Freely Rotating Bonds
1
Rule of 5 Violations
0
Formal Charge
0
Complexity
278
Compound is Canonicalized
Yes

Related Article(s)

Iodobenzene: Synthesis, reactions, environmental exposure, safety and applicationsJun 26, 2023

Iodobenzene: Synthesis, reactions, environmental exposure, safety and applications

Iodobenzene is an organoiodine molecule that has one of its benzene rings switched out for an iodine atom. Iodobenzene has an empirical formula of C6H5I and a molecular weight of 204.01g/mol. In organic chemistry, it is utilised as an important intermediate in the synthesis process.

Methoxy benzene: synthesis and applicationsJun 19, 2023

Methoxy benzene: synthesis and applications

Anisole, commonly known as methoxybenzene, has the molecular formula CH3OC6H5. It does not have an odour, but it has the appearance of anise seed, and some of its derivatives are utilised in fragrances, both natural and artificial. As a scented liquid used in perfume, flavourings, insecticides, and solvents.

Benzene Compounds: Chemical structure and derived compounds Aug 8, 2022

Benzene Compounds: Chemical structure and derived compounds

The most fundamental organic chemical is benzene, which belongs to the group of aromatic hydrocarbons. In crude oil, you may find naturally occurring benzene, as well as many other fundamental petrochemicals.

Benzoic Acid: Properties, structure, synthesis, applications and safety hazardJul 15, 2022

Benzoic Acid: Properties, structure, synthesis, applications and safety hazard

Benzoic acid, an organic molecule with the formula C6H5COOH has its molecular structure composed of carboxyl group that is linked to a benzene ring. This compound is a crystalline, colourless solid at ambient temperature.

Chlorobenzene: Synthesis, applications and safety hazardsJun 23, 2022

Chlorobenzene: Synthesis, applications and safety hazards

Chlorobenzene is an aromatic organic compound with the chemical formula C6H5Cl. It is a flammable liquid that has a clear appearance and smells like almonds to some extent.it is soluble in water but at a lower temperature.