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5-Norbornene-2-carbonitrile, mixture of isomers

5-Norbornene-2-carbonitrile, mixture of isomers

Inquiry

Molecular Formula:

C8H9N

Molecular Weight:

119.16

CAS Number:

95-11-4

Catalog Number:

95-11-4

Product Information

Molecular Formula:

C8H9N

Molecular Weight:

119.16

Description

5-Norbornene-2-carbonitrile, mixture of isomers (CAS# 95-11-4) is used in method for continuously preparing cyanonorbornene by using microchannel reactor.

Synonyms

bicyclo[2.2.1]hept-5-ene-2-carbonitrile

IUPAC Name

bicyclo[2.2.1]hept-5-ene-2-carbonitrile

Canonical SMILES

C1C2CC(C1C=C2)C#N

InChI

InChI=1S/C8H9N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2

InChI Key

BMAXQTDMWYDIJX-UHFFFAOYSA-N

Boiling Point

82-86 °C (10 mmHg)

Melting Point

41987 °C

Flash Point

150.8 °CF - closed cup

Purity

98 %

Density

0.999 g/cm³

Appearance

Clear, colorless clear liquid

Storage

Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Refractive Index

n20/D 1.488 (lit.)

LogP

1.72218

Safety Information

Hazards

H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

1.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

119.073499291 g/mol

Monoisotopic Mass

119.073499291 g/mol

Topological Polar Surface Area

23.8Å²

Heavy Atom Count

Formal Charge

Complexity

196

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-2022029460-A	Release film for molding solid polymer fuel cell components	2021-11-08
JP-2022040112-A	Laminated film and its manufacturing method and fuel cell manufacturing method	2021-10-22
CN-113045413-A	Method for preparing single-configuration C-2-position monosubstituted norbornene derivative	2021-03-16
CN-112390728-A	Method for continuously preparing cyano norbornene by using microchannel reactor	2020-11-27
WO-2022036044-A1	Olefinic compositions comprising hydrocarbon resins	2020-08-13
WO-2022014591-A1	Curable composition and cured body of same	2020-07-17
JP-2022016004-A	Polar group-containing olefin copolymer	2020-07-10
WO-2021220759-A1	Method for evaluating neural action of test substance, and kit and nerve cell culture container therefor	2020-04-28
JP-2021171941-A	Multi-layer structure	2020-04-21
CN-111393832-A	Macromolecular network topological heterogeneous system based on dynamic covalent bonds and application method thereof	2020-03-27

Literatures

PMID	Publication Date	Title	Journal
21588009	2010-06-26	2-(Bicyclo-[2.2.1]hept-5-en-2-yl)-1H-pyrrolo-[2,3-b]pyridine	Acta crystallographica. Section E, Structure reports online
19331369	2009-05-01	Online ESI-MS analysis of reactions under high pressure	Analytical chemistry

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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