compound introduction
4-氰基吡啶是在 4 位携带氰基的氰基吡啶。
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pyridine-4-carbonitrile
Dangerous GoodsCAS number：100-48-1 molecular formula：C6H4N2
overview
Specs
| Chinese alias | 异烟腈 | 异烟酸腈 | 4-吡啶甲腈 | ||
| English alias | EN300-18319 | NSC60681 | NSC-60681 | GPHQHTOMRSGBNZ-UHFFFAOYSA- | Q27274960 | D77982 | NCGC00254647-01 | EINECS 202-856-2 | DS-16750 | InChI=1/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H | pyridine-4-carbonitrile | 4-Pyridinecarbonitrile, purum, >=96.0% (GC) | SB5223 | ||
| CAS number | 100-48-1 | molecular formula | C6H4N2 |
| molecular weight | 104.11 | Exact mass | ≥98% |
| PSA | 36.7 | logp | 0.5 |
numbering system
| CAS | 100-48-1 |
| UNII | BY3226D010 |
| KEGG ID | C02234 |
| ChEBI ID | 28020 |
| Wikidata | Q27274960 |
| ChEMBL ID | CHEMBL504918 |
| NSC Number | NSC Number: NSC60681 |
| PubChem CID | 7506 |
| Nikkaji Number | J39.102F |
| DSSTox Substance ID | DTXSID9041528 |
| Metabolomics Workbench ID | 67546 |
| European Community (EC) Number | 202-856-2 |
| PubChem Reference Collection SID | 505522348 |
| MEP ID | _25Q1B3AQJ |
physicochemical properties
| XLogP3 | 0.5 |
| Complexity | 105 |
| Exact Mass | 104.037448136 |
| Formal Charge | 0 |
| Vapor Pressure | 0.31 [mmHg] |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
| Heavy Atom Count | 8 |
| Molecular Weight | 104.11 |
| Monoisotopic Mass | 104.037448136 |
| Isotope Atom Count | 0 |
| Physical Description | Off-white crystals with a pungent odor; [Alfa Aesar MSDS] |
| Rotatable Bond Count | 0 |
| Dissociation Constants | iupacpka |
| Kovats Retention Index | Standard polar: 1665 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 36.7 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Hazards Summary：
A strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See m-Phthalodinitrile. See Pyridine.
Ecotoxicity Values：
USDA APHIS Chemical Effects: collection=usda_chemeffect&query_type=synonym&query='^100-48-1$'
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: 4-Pyridinecarbonitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
Eye Irrit. 2 (43%)
Production methods and uses
purpose
Industry Uses：
Intermediate
General Manufacturing Information：
Industry Processing Sectors: All Other Basic Organic Chemical Manufacturing
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-48-1 | 4-Pyridinecarbonitrile.pdf
