2-Ethylisonicotinonitrile
Basic information
- CAS
1531-18-6- Standard SMILES
CCc1cc(C#N)ccn1- InChIKey
WERAOGVQORFBMU-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 2-Ethylisonicotinonitrile
- IUPAC
- 2-ethylpyridine-4-carbonitrile
- English name
- 2-ethylisonicotinonitrile
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
2-Ethylisonicotinonitrile1531-18-62-ethylpyridine-4-carbonitrileBBA424N182EINECS 216-238-5DTXSID90165218ETHIONAMIDE IMPURITY D [EP IMPURITY]ETHIONAMIDE IMPURITY D (EP IMPURITY)RefChem:472016DTXCID8087709216-238-54-Cyano-2-ethylpyridine
Show more names
2-Ethyl-4-pyridinecarbonitrile2-ethylisonicotinonitrile factory2-ethylisonicotinonitrile ISO 9001：2015 REACHEthionamide Impurity 4 (Ethionamide EP Impurity D)
4-Pyridinecarbonitrile, 2-ethyl-MFCD12546403UNII-BBA424N182SCHEMBL3242600CL0111AKOS022188937DS-9139Ethionamide EP Impurity D
Database identifiers
- CAS
1531-18-6- PubChem CID
- 73739
- DTXSID
DTXSID90165218- UNII
- BBA424N182
- EC Number
- 216-238-5
- Nikkaji
- J206.750A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 211 ℃ · 211℃
- Density
- 1.05 · 1.05
- refractive index
- 1.519 · 1.519
- Flash point
- 87 ℃ · 87℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Light Beige to Beige
- FDA UNII
- 424 N182 · BBA424N182
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 261 · P261-P280-P301+P310-P311
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H311+H331
- Precautionary statements
- P261-P280-P301+P310-P311
Chemistry & industry
Applications
Uses2-Ethylisonicotinonitrile was used in preparation of nitriles and isonitriles from primary amides and aldoximes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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