Methyl 2-chloro-6-methylpyridine-3-carboxylate

HCID 13055804

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Basic information

CAS: 53277-47-7
Standard SMILES: COC(=O)c1ccc(C)nc1Cl
InChIKey: SHKDOGHJQHIIRD-UHFFFAOYSA-N
Molecular formula: C8H8ClNO2
Average molar mass: 185.61 g/mol
Monoisotopic mass: 185.02435618

Names & identifiers

Preferred name: Methyl 2-chloro-6-methylpyridine-3-carboxylate
IUPAC: methyl 2-chloro-6-methylpyridine-3-carboxylate
English name: Methyl 4-chloro-6-methylnicotinate
Molecular formula: C8H8ClNO2
Molecular weight: 185.61

Names & synonyms

53277-47-7methyl 2-chloro-6-methylpyridine-3-carboxylateDTXSID80516619RefChem:814315DTXCID30467425692-363-2Methyl 2-chloro-6-methylnicotinate2-Chloro-6-methyl-nicotinic acid methyl esterMFCD118457633-Pyridinecarboxylic acid, 2-chloro-6-methyl-, methyl esterMETHYL6-METHYL-2-CHLOROPYRIDINE-3-CARBOXYLATEMethyl2-chloro-6-methylnicotinate

Show more names

Methyl 4-chloro-6-methylnicotinateMethyl 2-chloro-6-methylpyridine-3-carboxylate, 2-Chloro-3-(methoxycarbonyl)-6-methylpyridine

2-chloro-6-methyl-3-pyridinecarboxylic acid methyl esterSCHEMBL334079SCHEMBL29453741SHKDOGHJQHIIRD-UHFFFAOYSA-Nmethyl-2-chloro-6-methylnicotinatemethyl 2-chloro-6-methyl-nicotinateCL0086SBB090333

Database identifiers

CAS: 53277-47-7
PubChem CID: 13055804
DTXSID: DTXSID80516619
EC Number: 692-363-2
Nikkaji: J1.115.813G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 27 · 27-28℃
Boiling point: 253 ℃ · 253℃
Density: 1.247 · 1.247
Flash point: 107 ℃ · 107℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.43 · -0.43±0.10(Predicted)
Appearance: 28 °C · Colorless to off-white 28°C Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 271 · P271-P280
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.