3,5-Dimethylpyridine-2-carbonitrile
Basic information
- CAS
7584-09-0- Standard SMILES
Cc1cnc(C#N)c(C)c1- InChIKey
MYBGPKXHLYUSQF-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 3,5-Dimethylpyridine-2-carbonitrile
- IUPAC
- 3,5-dimethylpyridine-2-carbonitrile
- English name
- 2-Cyano-3,5-dimethylpyridine
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
3,5-dimethylpyridine-2-carbonitrile7584-09-0DTXSID20429113RefChem:487051DTXCID20379947624-119-83,5-Dimethylpicolinonitrile2-CYANO-3,5-DIMETHYLPYRIDINEMFCD059821243,5-dimethylpyridinecarbonitrileSCHEMBL4918585MYBGPKXHLYUSQF-UHFFFAOYSA-
Show more names
4,6-DiMethylpicolinonitrile5-diMethylpyridine-2-carbonitrile2-Pyridinecarbonitrile, 3,5-dimethyl-3,5-DiMethylpyridine-2-carbonitrile 97%2-Cyano-3,5-dimethylpyridine ISO 9001：2015 REACH2-Cyano-3,5-dimethylpyridine, 3,5-Dimethylpicolinonitrile
HAA584092CYANO-3,5-DIMETHYLPYRIDINE3,5-dimethyl-2-pyridinecarbonitrileSBB085817AKOS023832419AB22974NCGC00664099-01AS-35542
Database identifiers
- CAS
7584-09-0- PubChem CID
- 8167269
- DTXSID
DTXSID20429113- EC Number
- 624-119-8
- Nikkaji
- J2.172.468H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 58 · 58-62 °C
- Boiling point
- 283.7 · 283.7±35.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 0.26 · 0.26±0.20(Predicted)
- form
- solid
- InChI
- 1S/C8H8N2/c1-6-3-7(2)8(4-9)10-5-6/h3,5H,1-2H3
- InChIKey
- MYBGPKXHLYUSQF-UHFFFAOYSA-N
- SMILES
- Cc1cnc(C#N)c(C)c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P301+P312+P330-P305+P351+P338+P310
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338+P310
Related reactions
23 records
Compound notes
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