3,5-Dichloro-2-pyridinecarboxylic acid

HCID 219989CAS 81719-53-1

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Basic information

Standard SMILES: O=C(O)c1ncc(Cl)cc1Cl
InChIKey: JYKZCYLZWZCQFP-UHFFFAOYSA-N
Molecular formula: C6H3Cl2NO2
Average molar mass: 192 g/mol
Monoisotopic mass: 190.9540837

Names & identifiers

Preferred name: 3,5-Dichloro-2-pyridinecarboxylic acid
IUPAC: 3,5-dichloropyridine-2-carboxylic acid
English name: 3,5-Dichloro-2-pyridinecarboxylic acid
Molecular formula: C6H3Cl2NO2
Molecular weight: 192

Names & synonyms

81719-53-13,5-DICHLORO-2-PYRIDINECARBOXYLIC ACID3,5-dichloropyridine-2-carboxylic acidDTXSID20277373RefChem:486715DTXCID10228531813-620-93,5-dichloropicolinic acidMFCD032300052-Pyridinecarboxylic acid, 3,5-dichloro-NSC20103,5-Dichloropyridine-2-carboxylicAcid

Show more names

RARECHEM AL BO 24015-Dichloro-2-pyridinecarboxylic acid2-Pyridinecarboxylicacid, 3,5-dichloro-3,5-DICHLORO-2-PYRIDINECARBOXYLIC ACID 98+%3,5-Dichloro-2-pyridinecarboxylic acid ISO 9001：2015 REACH3,5-Dichloropicolinic acid, 2-Carboxy-3,5-dichloropyridine

SCHEMBL287761SCHEMBL5460477JYKZCYLZWZCQFP-UHFFFAOYSA-NNSC-2010SBB052940AKOS005258279AB13812AC-9474

Database identifiers

CAS: 81719-53-1
PubChem CID: 219989
DTXSID: DTXSID20277373
EC Number: 813-620-9
Nikkaji: J1.537.726G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 153 · 153-154 °C
Boiling point: 315.4 · 315.4±37.0 °C(Predicted)
Density: 1.612 · 1.612±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder
pka: 2.12 · 2.12±0.25(Predicted)
color: White
CAS DataBase Reference: 81719 · 81719-53-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
RIDADR: 2811 · UN2811
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 3.2% (1 of 31) of reports.

Danger

H301 (93.5%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (93.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (93.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 31 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 31 reports by companies.；There are 3 notifications provided by 30 of 31 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.