Methyl 5,6-Dichloronicotinate

HCID 2782166

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Basic information

CAS: 56055-54-0
Standard SMILES: COC(=O)c1cnc(Cl)c(Cl)c1
InChIKey: HWZINXYBRIQTEJ-UHFFFAOYSA-N
Molecular formula: C7H5Cl2NO2
Average molar mass: 206.02 g/mol
Monoisotopic mass: 204.96973376

Names & identifiers

Preferred name: Methyl 5,6-Dichloronicotinate
IUPAC: methyl 5,6-dichloropyridine-3-carboxylate
English name: Methyl 5,6-dichloronicotinate
Molecular formula: C7H5Cl2NO2
Molecular weight: 206.03

Names & synonyms

Methyl 5,6-Dichloronicotinate56055-54-0DTXSID90381956RefChem:816622DTXCID70332981813-459-4methyl 5,6-dichloropyridine-3-carboxylateMFCD001253673-Pyridinecarboxylic acid, 5,6-dichloro-, methyl ester2,3-Dichloro-5-(methoxycarbonyl)pyridine5,6-dichloronicotinic acid methyl estermethyl 2,3-dichloro-5-pyridinecarboxylate

Show more names

3W-0272ZINC001688705,6-dichloro-methyl esterMethyl 5,6-dichloronicotinate 97%5,6-dichloro-3-pyridinecarboxylic acid methyl esterMethyl 5,6-dichloropyridine-3-carboxylate, 2,3-Dichloro-5-(methoxycarbonyl)pyridineMethyl 5,6-dichloropyridine-3-carboxylate, 5,6-Dichloro-3-(methoxycarbonyl)pyridine

methyl 5,6-dichloro-3-pyridinecarboxylateY4T3YNN7XAmethyl-5,6-dichloronicotinateSCHEMBL473919CS-WAA0049methyl-5,6-dichloro-nicotinateSCHEMBL297269583-PYRIDINECARBOXYLIC ACID,5,6-DICHLORO-,METHYL ESTER

Database identifiers

CAS: 56055-54-0
PubChem CID: 2782166
DTXSID: DTXSID90381956
UNII: Y4T3YNN7XA
EC Number: 813-459-4
Nikkaji: J308.863D

Properties

Computed structural properties

XLogP: 2.3
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: 177

Physicochemical properties

Melting point: 63 · 63-65°C
Boiling point: 265.5 · 265.5±35.0 °C(Predicted)
Density: 1.426 · 1.426±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.84 · -2.84±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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)

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