5-Methylpicolinonitrile
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Basic information
- CAS
1620-77-5- Standard SMILES
Cc1ccc(C#N)nc1- InChIKey
LIEQVZZZYLHNRH-UHFFFAOYSA-N- Molecular formula
- C7H6N2
- Average molar mass
- 118.14 g/mol
- Monoisotopic mass
- 118.05309819
Names & identifiers
- Preferred name
- 5-Methylpicolinonitrile
- IUPAC
- 5-methylpyridine-2-carbonitrile
- English name
- 2-Cyano-5-methylpyridine
- Molecular formula
- C7H6N2
- Molecular weight
- 118.14
Names & synonyms
2-cyano-5-methylpyridine5-methylpicolinonitrile5-Methylpyridine-2-carbonitrile2-Pyridinecarbonitrile, 5-methyl-5-Methyl-2-pyridinecarbonitrile5-methyl-2-cyanopyridineBTZ4BG8Z8DDTXSID20167285RefChem:198958DTXCID50897761620-77-55-Methyl-pyridine-2-carbonitrile
Show more names
5-Methypicolinonitrile-pyridine-2-carbonitriL2-Cyano-5-methylpyridine >2-Cyano-5-methylpyridine ,97%5-Methylpyridin-2-carbonitrile
MFCD062008306-Cyano-3-picoline2-CYANO-5-PICOLINEEINECS 216-589-45-methyl picolinonitrileUNII-BTZ4BG8Z8D5-methyl-2-cyano-pyridineSCHEMBL81947
Database identifiers
- CAS
1620-77-5- PubChem CID
- 74183
- DTXSID
DTXSID20167285- UNII
- BTZ4BG8Z8D
- EC Number
- 216-589-4
- Nikkaji
- J195.246C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 73 · 73-75°C
- Boiling point
- 140 °C/20mmHg · 140°C/20mmHg(lit.)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Solid
- pka
- -0.03 · -0.03±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C7H6N2/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,1H3
- InChIKey
- LIEQVZZZYLHNRH-UHFFFAOYSA-N
- SMILES
- C1(C#N)=NC=C(C)C=C1
- CAS DataBase Reference
- 1620 · 1620-77-5(CAS DataBase Reference)
- FDA UNII
- 4 BG8Z8D · BTZ4BG8Z8D
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H331-H335-H301-H315-H319
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
Danger
H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (20%)
Safety data
- ridadr
- 3439
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- packing_group
- Ⅲ
- Hazard statements
- H302-H312-H331-H335-H301-H315-H319
- Precautionary statements
- P261-P304+P340-P305+P351+P338-P501a-P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
Chemistry & industry
Applications
Uses2-Cyano-5-methylpyridine (5-methylpicolinonitrile) is a methylpyridine analogue mainly used as a raw material or intermediate component in organic synthesis. It is used in the synthesis of 5-Methylpicolinaldehyde and its derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
30 records
Compound notes
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