Methyl 6-chloro-2-(chloromethyl)pyridine-3-carboxylate

HCID 59525762

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Basic information

CAS: 1093879-99-2
Standard SMILES: COC(=O)c1ccc(Cl)nc1CCl
InChIKey: TUJJDUMNJRNYGZ-UHFFFAOYSA-N
Molecular formula: C8H7Cl2NO2
Average molar mass: 220.05 g/mol
Monoisotopic mass: 218.98538382

Names & identifiers

Preferred name: Methyl 6-chloro-2-(chloromethyl)pyridine-3-carboxylate
IUPAC: methyl 6-chloro-2-(chloromethyl)pyridine-3-carboxylate
English name: Methyl 6-chloro-2-(chloroMethyl)nicotinate
Molecular formula: C8H7Cl2NO2
Molecular weight: 220.05

Names & synonyms

1093879-99-2methyl 6-chloro-2-(chloromethyl)pyridine-3-carboxylateDTXSID20732316RefChem:356283DTXCID10683060975-719-4METHYL 6-CHLORO-2-(CHLOROMETHYL)NICOTINATEMFCD16658090SCHEMBL1249445SCHEMBL29361239TUJJDUMNJRNYGZ-UHFFFAOYSA-NAKOS022190249

Show more names

3-Pyridinecarboxylic acid, 6-chloro-2-(chloromethyl)-, methyl ester

AS-42417SY243040DB-334712EN300-5241192F333717METHYL6-CHLORO-2-(CHLOROMETHYL)NICOTINATEZ1269169289

Database identifiers

CAS: 1093879-99-2
PubChem CID: 59525762
DTXSID: DTXSID20732316
EC Number: 975-719-4

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 189

Physicochemical properties

Boiling point: 307.7 · 307.7±42.0 °C(Predicted)
Density: 1.373 · 1.373±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -3.28 · -3.28±0.10(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 261 · P261-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.