Home > Compound List > Compound details
34006-32-1 molecular structure
click picture or here to close

(2H8)hexanedinitrile

ChemBase ID: 136821
Molecular Formular: C6H8N2
Molecular Mass: 108.14112
Monoisotopic Mass: 108.06874827
SMILES and InChIs

SMILES:
C(C#N)CCCC#N
Canonical SMILES:
N#CCCCCC#N
InChI:
InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
InChIKey:
BTGRAWJCKBQKAO-UHFFFAOYSA-N

Cite this record

CBID:136821 http://www.chembase.cn/molecule-136821.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H8)hexanedinitrile
IUPAC Traditional name
(2H8)hexanedinitrile
Synonyms
1,4-Dicyanobutane-d8
Hexanedinitrile-d8
Adiponitrile-d8
Adipic Acid Dinitrile-d8
Adipic Acid Nitrile-d8
Adipic Dinitrile-d8
Adipodinitrile-d8
Butanedicarbonitrile-d8
NSC 7617-d8
Adiponitrile-d8
1,4-二氰基丁烷-d8
己烷二腈-d8
己二腈-d8
CAS Number
34006-32-1
MDL Number
MFCD00190458
PubChem SID
24871693
162231089
PubChem CID
16213232

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16213232 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6065521  LogD (pH = 7.4) 0.6065521 
Log P 0.6065521  Molar Refractivity 30.6976 cm3
Polarizability 11.469436 Å3 Polar Surface Area 47.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
295 °C(lit.) expand Show data source
Flash Point
163 °C expand Show data source
325.4 °F expand Show data source
Density
1.021 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.436(lit.) expand Show data source
Mass Shift
M+8 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2205 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
25-36/37/38 expand Show data source
Safety Statements
26-36-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H330-H335 expand Show data source
GHS Precautionary statements
P260-P284-P301 + P310-P305 + P351 + P338-P310 expand Show data source
RID/ADR
UN 2205 6.1/PG 3 expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Certificate of Analysis
Download expand Show data source
Mol. Weight
mol wt 116.11 by atom % calculation expand Show data source
Linear Formula
NC(CD2)4CN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 480541 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle