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4-Cyano-1-cyclohexene
Dangerous GoodsCAS number：100-45-8 molecular formula：C7H9N
overview
Specs
| Chinese alias | 3-环己烯-1-腈 | 1,2,3,6-四氢苯甲腈 | ||
| English alias | AS-47878 | 4-Cyano-1-cyclohexene | 4-Cyanocyclohexene-1 | Tetrahydrobenzonitrile | D65GN9AVCH | UNII-D65GN9AVCH | cyclohex-3-enecarbonitrile | 3-Cyclohexenyl cyanide | 1,2,3,6-Tetrahydrobenzonitrile | FT-0618302 | NSC 7407 | (+/-)-3-CYCLOHEXENE-1-CARBONIT | ||
| CAS number | 100-45-8 | molecular formula | C7H9N |
| molecular weight | 107.16 g/mol | Exact mass | ≥95%(GC) |
| PSA | 23.800 Ų | logp | 1.500 |
numbering system
| CAS | 100-45-8 |
| UNII | D65GN9AVCH |
| Wikidata | Q22079568 |
| NSC Number | NSC Number: NSC7407 |
| PubChem CID | 66013 |
| Nikkaji Number | J34.008A |
| DSSTox Substance ID | DTXSID70861706 |
| European Community (EC) Number | 623-115-3 |
| PubChem Reference Collection SID | 500736996 |
physicochemical properties
| XLogP3 | XLogP3-AA: 1.5 |
| Complexity | 138 |
| Exact Mass | 107.073499291 |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Molecular Weight | 107.15 |
| Monoisotopic Mass | 107.073499291 |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Topological Polar Surface Area | 23.8 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Lethal Dose：
collection=toxvaldb&kind=^LD$
Hazard Classes and Categories：
Acute Tox. 4 (98.5%)
Production methods and uses
purpose
CPDat List Presence keywords: cpdatkw
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 0 shareMSDS
