CAS 15855-06-8 2-Chloro-6-methoxypyridine-4-carboxylic acid (HCID 2782124)

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Basic information

CAS: 15855-06-8
Standard SMILES: COc1cc(C(=O)O)cc(Cl)n1
InChIKey: PJQBTHQTVJMCFX-UHFFFAOYSA-N
Molecular formula: C7H6ClNO3
Average molar mass: 187.58 g/mol
Monoisotopic mass: 187.00362073

Names & identifiers

Preferred name: 2-Chloro-6-methoxypyridine-4-carboxylic acid
IUPAC: 2-chloro-6-methoxypyridine-4-carboxylic acid
English name: 2-Chloro-6-methoxyisonicotinic acid
Molecular formula: C7H6ClNO3
Molecular weight: 187.58

Names & synonyms

2-chloro-6-methoxypyridine-4-carboxylic acidRefChem:469677633-912-815855-06-82-CHLORO-6-METHOXYISONICOTINIC ACID4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-METHOXY-MFCD001739282-Chloro-6-methoxy-isonicotinic acid2-chloro-6-methoxy-pyridine-4-carboxylic AcidSCHEMBL8377982-Chloro-6-methoxypyridine-4-carboxylicAcidAB04381

Show more names

BUTTPARK 43\57-34TIMTEC-BB SBB0054272-Chloro-6-methoxypyridine-4-c2-Chloro-6-methoxyisonicotinicaci2-Chloro-6-methoxy-4-pyridinecarboxylic acid2-Chloro-6-methoxyisonicotinic acid ISO 9001：2015 REACH2-Chloro-6-methoxypyridine-4-carboxylic acid, 4-Carboxy-2-chloro-6-methoxypyridine

2-Chloro-6-Methoxy Iso Nicotinic AcidDTXSID60381948PJQBTHQTVJMCFX-UHFFFAOYSA-NCS-D1069SBB005427AKOS005072771FA-0923AC-23195

Database identifiers

CAS: 15855-06-8

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 59.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 176

Physicochemical properties

Melting point: 214 °C · 214 °C
Boiling point: 209 · 209-213℃
Density: 1.43 · 1.430±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 2.88 · 2.88±0.10(Predicted)
form: powder
color: White
InChI: 1S/C7H6ClNO3/c1-12-6-3-4(7(10)11)2-5(8)9-6/h2-3H,1H3,(H,10,11)
InChIKey: PJQBTHQTVJMCFX-UHFFFAOYSA-N
SMILES: COc1cc(cc(Cl)n1)C(O)=O
CAS DataBase Reference: 15855 · 15855-06-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.