1-Cyclohexenylacetonitrile - CAS 6975-71-9
Catalog: |
BB033960 |
Product Name: |
1-Cyclohexenylacetonitrile |
CAS: |
6975-71-9 |
Synonyms: |
2-(cyclohexen-1-yl)acetonitrile |
IUPAC Name: | 2-(cyclohexen-1-yl)acetonitrile |
Description: | 1-Cyclohexenylacetonitrile (CAS# 6975-71-9) is used as a reagent for the cost-effective synthesis of 5-substituted 1H-tetrazoles from nitriles and sodium azide. |
Molecular Weight: | 121.18 |
Molecular Formula: | C8H11N |
Canonical SMILES: | C1CCC(=CC1)CC#N |
InChI: | InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2 |
InChI Key: | OYEXEQFKIPJKJK-UHFFFAOYSA-N |
Boiling Point: | 144-144 ℃ (90 mmHg) |
Density: | 0.947 g/cm3 |
Appearance: | Clear yellow to orange liquid |
MDL: | MFCD00001566 |
LogP: | 2.40048 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
Publication Number | Title | Priority Date |
CN-112713302-A | Flame-retardant polymer gel electrolyte composition, gel electrolyte, and preparation method and application thereof | 20201231 |
CN-112133961-A | Gel electrolyte precursor and application thereof | 20200918 |
CN-111807968-A | Synthetic method of 2- (1-cyclohexenyl) ethylamine | 20200701 |
CN-111253404-A | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 20181130 |
WO-2020108659-A1 | Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof | 20181130 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.089149355 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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