Quinoline-7-carboxylic acid

HCID 599475CAS 1078-30-4

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1ccc2cccnc2c1
InChIKey: WXXVQWSDMOAHHV-UHFFFAOYSA-N
Molecular formula: C10H7NO2
Average molar mass: 173.17 g/mol
Monoisotopic mass: 173.04767846

Names & identifiers

Preferred name: Quinoline-7-carboxylic acid
IUPAC: quinoline-7-carboxylic acid
English name: 7-Quinolinecarboxylic acid
Molecular formula: C10H7NO2
Molecular weight: 173.17

Names & synonyms

Quinoline-7-carboxylic acidRefChem:872047640-273-97-Quinolinecarboxylic acid1078-30-47-QuinolinecarboxylicacidMFCD000476177-quinoline carboxylic acidSCHEMBL1145034DTXSID50344784CS-D0464AKOS000270294

Show more names

AKOS BBS-00005341quinolin-7-carboxylic acid7-QUINOLINEcarboxylic acid 98%7-Quinolinecarboxylic acid ,98%7-Quinolinecarboxylic acid, 95+%7-Quinolinecarboxylic acid ISO 9001：2015 REACH7-Carboxyquinoline, 7-Carboxy-1-azanaphthalene

AC-4532FS-2897MB00424PS-86487-CarboxyquinolineBCP10039SCHEMBL28140566SCHEMBL28141371

Database identifiers

CAS: 1078-30-4
PubChem CID: 599475
DTXSID: DTXSID50344784
EC Number: 640-273-9
Nikkaji: J1.670.943C

Properties

Computed structural properties

XLogP: 1.8
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: 205

Physicochemical properties

Melting point: 249.5 °C · 249.5°C
Boiling point: 303.81 °C · 303.81°C (rough estimate)
Density: 1.2427 · 1.2427 (rough estimate)
refractive index: 1.52 · 1.5200 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 2.68 · 2.68±0.30(Predicted)
color: Off-white
InChI: InChI=1S/C10H7NO2/c12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,(H,12,13)
InChIKey: WXXVQWSDMOAHHV-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(C(O)=O)C=2)C=CC=1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Safety Statements: 24 · 24/25
HS Code: 29334900 · 29334900

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.