6-Methyl-2-pyridinecarboxaldehyde (HCID 70737)

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 Å²
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
BRN: 107476 · 107476
InChI: 1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3
InChIKey: AHISYUZBWDSPQL-UHFFFAOYSA-N
SMILES: Cc1cccc(C=O)n1
CAS DataBase Reference: 1122 · 1122-72-1(CAS DataBase Reference)
FDA UNII: 0 RNR5L79R2 · 0RNR5L79R2
EPA Substance Registry System: 6 · 6-Methyl-2-pyridinecarboxaldehyde (1122-72-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
RIDADR: 1325 · UN 1325
WGK Germany: 3 · 3
F: 8 · 8-9-23
TSCA: TSCA listed
HazardClass: IRRITANT, LIGHT SENSITIVE, KEEP COLD
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 2 items

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: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT, LIGHT SENSITIVE, KEEP COLD
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pyridinecarboxaldehyde, 6-methyl-: ACTIVE

Applications · 1 item

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.