CAS 648423-85-2 Imidazo[1,2-a]pyridine-7-carboxylic acid (HCID 18364844)

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Basic information

CAS: 648423-85-2
Standard SMILES: O=C(O)c1ccn2ccnc2c1
InChIKey: TUKDVVKJZVLVTD-UHFFFAOYSA-N
Molecular formula: C8H6N2O2
Average molar mass: 162.15 g/mol
Monoisotopic mass: 162.04292744

Names & identifiers

Preferred name: Imidazo[1,2-a]pyridine-7-carboxylic acid
IUPAC: imidazo[1,2-a]pyridine-7-carboxylic acid
English name: Imidazo[1,2-a]pyridine-7-carboxylic acid (9CI)
Molecular formula: C8H6N2O2
Molecular weight: 162.15

Names & synonyms

Imidazo[1,2-a]pyridine-7-carboxylic acid648423-85-2DTXSID60593145Imidazo(1,2-a)pyridine-7-carboxylic acidRefChem:348587DTXCID20543909685-568-3MFCD09834781Imidazo[1,2-a]pyridine-7-carboxylic acid (9CI)Imidazo[1,2-a]pyridine-7-carboxylicacidSCHEMBL557414TUKDVVKJZVLVTD-UHFFFAOYSA-N

Show more names

Imidazo[1,2-a]pyridine-7-...7-Carboxyimidazo[1,2-a]pyridine7-imidazo[1,2-a]pyridinecarboxylic acidH-iMidazo[1,2-a]pyridine-7-carbo×ylic acidH-imidazo[1,2-a]pyridine-7-carboxylic acidImidazo[1,2-A]pyridine-7-carboxylic acid hydrochloride

AKOS006344988HE-0336PB29686BP-20226SY016704DB-351697CS-0049334EN300-102614

Database identifiers

CAS: 648423-85-2
PubChem CID: 18364844
DTXSID: DTXSID60593145

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Physicochemical properties

Density: 1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Solid
pka: -0.56 · -0.56±0.41(Predicted)
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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