CAS 57266-69-0 3-Chloropyridine-2-carboxylic acid (HCID 824632)

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Basic information

CAS: 57266-69-0
Standard SMILES: O=C(O)c1ncccc1Cl
InChIKey: XTMUXJBJCMRWPG-UHFFFAOYSA-N
Molecular formula: C6H4ClNO2
Average molar mass: 157.55 g/mol
Monoisotopic mass: 156.99305605

Names & identifiers

Preferred name: 3-Chloropyridine-2-carboxylic acid
IUPAC: 3-chloropyridine-2-carboxylic acid
English name: 3-Chloropyridine-2-carboxylic acid
Molecular formula: C6H4ClNO2
Molecular weight: 157.55

Names & synonyms

3-Chloropyridine-2-carboxylic acidRefChem:500532637-210-23-Chloropicolinic acid57266-69-03-Chloro-2-pyridinecarboxylic AcidMFCD016463253-chloro-2-picolinic acid2-Pyridinecarboxylic acid, 3-chloro-F1926-0037chloropicolinic acid3-Chloropicolinicacid

Show more names

IFLAB-BB F1926-00373-Chloro-2-Pyridinecarboxylic3-?Chloropyridine-?2-?carboxylicaci3-Chloropyridine-2-carboxylicacid98%3-Chloro-2-pyridinecarboxylic Acid >3-chloropyridine-2-carboxylic acid, 97%,

3-?CHLOROPYRIDINE-?2-?CARBOXYLIC ACIDAC-907/34123052SCHEMBL209954SCHEMBL295357743-CHLORO-2-PICOLINICACIDDTXSID003564583-chloropyridin-2-carboxylic acidSMSSF-0044167

Database identifiers

CAS: 57266-69-0
PubChem CID: 824632
DTXSID: DTXSID00356458
EC Number: 637-210-2
Nikkaji: J1.773.673F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 148 · 148-150°C
Boiling point: 297.6 · 297.6±20.0 °C(Predicted)
Density: 1.47 · 1.470±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Acetonitrile (Slightly), Methanol (Slightly)
pka: 2.41 · 2.41±0.10(Predicted)
form: Crystalline Powder
color: White to brown
InChI: 1S/C6H4ClNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)
InChIKey: XTMUXJBJCMRWPG-UHFFFAOYSA-N
SMILES: OC(=O)c1ncccc1Cl
CAS DataBase Reference: 57266 · 57266-69-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.