6-Methyl-2-pyridinecarboxaldehyde
Basic information
- CAS
1122-72-1- Standard SMILES
Cc1cccc(C=O)n1- InChIKey
AHISYUZBWDSPQL-UHFFFAOYSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276384
Overview
C22H22N4; structure in first source
Names & identifiers
- Preferred name
- 6-Methyl-2-pyridinecarboxaldehyde
- IUPAC
- 6-methylpyridine-2-carbaldehyde
- English name
- 6-Methyl-2-pyridinecarboxaldehyde
- Molecular formula
- C7H7NO
- Molecular weight
- 121.14
Names & synonyms
6-Methyl-2-pyridinecarboxaldehyde1122-72-16-Methylpicolinaldehyde6-Methylpyridine-2-carboxaldehyde2-Formyl-6-methylpyridine2-Pyridinecarboxaldehyde, 6-methyl-6-Methyl-2-picolinaldehyde6-Methylpyridine-2-aldehydePicolinaldehyde, 6-methyl-2-Methyl-6-pyridinecarboxaldehyde0RNR5L79R2NSC-8954
Show more names
6-METHYLPYRIDINE-2-CARBOXYALDEHYDEdehyde, 6-methyL6-ForMyl-2-picolineTIMTEC-BB SBB0042872-FORMYL-6-PICOLINEChlorpyrifos Impurity 53
DTXSID5061530RefChem:104990DTXCID7033286214-359-86-Methylpyridine-2-carbaldehyde6-Methyl-2-pyridinecarbaldehydeMFCD000062916-Methylpyridyl-2-aldehyde
Database identifiers
- CAS
1122-72-1- PubChem CID
- 70737
- DTXSID
DTXSID5061530- UNII
- 0RNR5L79R2
- EC Number
- 214-359-8
- Nikkaji
- J28.017H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionDark yellow crystalline solid; mp = 31-33 deg C; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 31 · 31-33 °C(lit.)
- Boiling point
- 105 · 105-108°C/12mm
- Density
- 1.1344 · 1.1344 (rough estimate)
- refractive index
- 20 · n20/D 1.527(lit.)
- Flash point
- 155 °F · 155 °F
- storage temp.
- 2 · 2-8°C
- form
- Low Melting Solid
- pka
- 3.96 · 3.96±0.10(Predicted)
- color
- Light yellow to brown
- Water Solubility
- 750 g/L · 750 g/L (20 ºC)
- Sensitive
- Light Sensitive/Air Sensitive
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Pyridinecarboxaldehyde, 6-methyl-
2-Pyridinecarboxaldehyde, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 4-Pyridinecarboxaldehyde and Pyridine-2-carbaldehyde.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-9-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1325
- hs_code
- 2933990099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pyridinecarboxaldehyde, 6-methyl-: ACTIVE
Applications
Uses6-Methyl-2-pyridinecarboxaldehyde was used in the synthesis of 1-(10-cyano- and -10-bromo-5H-dibenzo[a,d]cyclohepten-5-yl)-4-[(arylmethylene)amino]piperazines which are compounds that exhibits anticon vulsant properties. 6-Methylpyridine-2-carboxaldehyde is used to produce 1-(6-methyl-pyridin-2-yl)-hexan-1-one with pent-1-ene at temperature of 100°C. This reaction will need reagent 2-amino-3-picoline and catalysts (Ph3P)3RhCl, Cp2ZrCl2.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
96 records
Compound notes
Loading…