CAS 10469-09-7 3,4,5,6-Tetrachloropyridine-2-carboxylic acid (HCID 82646)

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Basic information

CAS: 10469-09-7
Standard SMILES: O=C(O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIKey: GXFRQLQUKBSYQL-UHFFFAOYSA-N
Molecular formula: C6HCl4NO2
Average molar mass: 260.9 g/mol
Monoisotopic mass: 258.87613899

Names & identifiers

Preferred name: 3,4,5,6-Tetrachloropyridine-2-carboxylic acid
IUPAC: 3,4,5,6-tetrachloropyridine-2-carboxylic acid
English name: Tetrachloropyridine-2-carboxylic acid
Molecular formula: C6HCl4NO2
Molecular weight: 260.89

Names & synonyms

3,4,5,6-Tetrachloropicolinic acid3,4,5,6-Tetrachloropyridine-2-carboxylic acidTetrachloropicolinic acid2-Pyridinecarboxylic acid, 3,4,5,6-tetrachloro-DTXSID20445097E9ZN8AB09UNII-7E9ZN8AB09EINECS 233-956-4DTXCID0024509PICOLINIC ACID, TETRACHLORO-TETRACHLORO-2-PICOLINIC ACIDTETRACHLORO-2-PYRIDINECARBOXYLIC ACID

Show more names

RARECHEM AL BO 1629Tetrachloropicolinic3,4,5,6-TetrachloropicolinicacidTetrachloropyridine-2-CarboxylicAci

PICOLINIC ACID, 3,4,5,6-TETRACHLORO-2,3,4,5-TETRACHLORO-6-PYRIDINECARBOXYLIC ACIDRefChem:90888233-956-410469-09-7tetrachloropyridine-2-carboxylic acid2-Pyridinecarboxylicacid, 3,4,5,6-tetrachloro-3,4,5,6-Tetrachloro-2-pyridinecarboxylic acid

Database identifiers

CAS: 10469-09-7
PubChem CID: 82646
DTXSID: DTXSID2044509
ChEMBL: CHEMBL3182401

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 215

Physicochemical properties

Melting point: 210 · 210-214°C
Boiling point: 360.8 · 360.8±37.0 °C(Predicted)
Density: 1.824 · 1.824±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: DMSO, Methanol
pka: 1.26 · 1.26±0.32(Predicted)
form: Solid
color: White
Water Solubility: Soluble in DMSO, Methanol. Insoluble in water.
BRN: 479080 · 479080
Henry's Law Constant: 3.7 · 3.7×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C6HCl4NO2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H,12,13)
InChIKey: GXFRQLQUKBSYQL-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC(Cl)=C(Cl)C(Cl)=C1Cl
CAS DataBase Reference: 10469 · 10469-09-7(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (88.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (88.7%)

Safety data

tsca: TSCA listed
ridadr: 2811
hs_code: 2933399990
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Harmful/Irritant
safety_code: 26-36/37/39
hazard_class: 6.1
packing_group: III
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Pyridinecarboxylic acid, 3,4,5,6-tetrachloro-: ACTIVE

Applications

Uses3,4,5,6-Tetrachloropyridine-2-carboxylic acid is an important raw material and intermediate used in organic synthesis, pharmaceutical and dyestuff.

UsesTetrachloropyridine-2-carboxylic acid can be a reagent used in the synthesis of herbicides.