2,6-Dichloro-4-methylpyridine-3-carboxylic acid

HCID 676121

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Basic information

CAS: 62774-90-7
Standard SMILES: Cc1cc(Cl)nc(Cl)c1C(=O)O
InChIKey: QOSNTWMXACGOMD-UHFFFAOYSA-N
Molecular formula: C7H5Cl2NO2
Average molar mass: 206.02 g/mol
Monoisotopic mass: 204.96973376

Names & identifiers

Preferred name: 2,6-Dichloro-4-methylpyridine-3-carboxylic acid
IUPAC: 2,6-dichloro-4-methylpyridine-3-carboxylic acid
English name: 2,6-Dichloro-4-methyl-3-pyridinecarboxylic acid
Molecular formula: C7H5Cl2NO2
Molecular weight: 206.03

Names & synonyms

2,6-dichloro-4-methylpyridine-3-carboxylic acidRefChem:445416676-818-262774-90-72,6-dichloro-4-methylnicotinic acid2,6-Dichloro-4-methyl-3-pyridinecarboxylic acidMFCD029327242,6-dichloro-4-methyl-nicotinic acid3-PYRIDINECARBOXYLIC ACID, 2,6-DICHLORO-4-METHYL-2,6-dichloro-4-methyl-pyridine-3-carboxylic Acid2,6-dichloroSCHEMBL473877

Show more names

2,6-dichloro-4-methylnicotinic2,6-Dichloro-4-methylnicotinicacid,98%2,6-Dichloro-4-methyl-3-pyridinecarboxylic2,6-Dichloro-4-methylpyridin-3-carboxylic acid

SCHEMBL29384281DTXSID30350247QOSNTWMXACGOMD-UHFFFAOYSA-N2,6-dichloro-4-methylnicotinicacidCS-D0785AKOS005146081AC-3180PB15719

Database identifiers

CAS: 62774-90-7
PubChem CID: 676121
DTXSID: DTXSID30350247
EC Number: 676-818-2
Nikkaji: J1.233.077D

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 140 · 140-141 °C
Boiling point: 370.1 · 370.1±37.0 °C(Predicted)
Density: 1.522 · 1.522±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 1.55 · 1.55±0.38(Predicted)
Appearance: White to light yellow Solid
InChI: InChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)
InChIKey: QOSNTWMXACGOMD-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C)=C1C(O)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2933399990 · 2933399990

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.