Chinolin-4-carbonsure

4-Quinolinecarboxylic acid

HCID 10243CAS 486-74-8

Grundinformationen

Standard-SMILES
O=C(O)c1ccnc2ccccc12
InChIKey
VQMSRUREDGBWKT-UHFFFAOYSA-N
Summenformel
C10H7NO2
Durchschnittliche Molmasse
173,17 g/mol
Monoisotopische Masse
173,04767847

Namen und Bezeichner

Bevorzugter Name
4-Quinolinecarboxylic acid
IUPAC
quinoline-4-carboxylic acid
Lokaler Name
Chinolin-4-carbonsure
Englischer Name
QUINOLINE-4-CARBOXYLIC ACID
Summenformel
C10H7NO2
Molmasse
173.17

Namen und Synonyme

Quinoline-4-carboxylic acid486-74-84-Quinolinecarboxylic acid4-CarboxyquinolineCINCHONINIC ACIDCinchonic acidW6V42SQ9E8NSC-13138CHEBI:18311DTXSID20197567RefChem:912804DTXCID80120058
Weitere Namen anzeigen
Quinoline-4-carboxylicAKOS BC-0749cinchoninicacidAKOS BBS-000053354-quinolinic acid
207-640-1USAF D-2MFCD00006782NSC 13138CHEMBL44356174-quinolinecarboxylateNSC 13138; 4-Carboxyquinoline; 4-Quinolinic AcidEINECS 207-640-1

Datenbank-Bezeichner

CAS
486-74-8
PubChem CID
10243
DTXSID
DTXSID20197567
ChEMBL
CHEMBL4435617
ChEBI
CHEBI:18311
UNII
W6V42SQ9E8
EC Number
207-640-1
Nikkaji
J6.015A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,5
Polarare Oberfläche (TPSA)
50,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Physical DescriptionCream-colored to light brown powder; [Alfa Aesar MSDS]
Collision Cross Section · 2 Einträge

133.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];134.3 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

133.5 Ų [M+H]+;134.6 Ų [M-H]-

Physikochemische Eigenschaften

Schmelzpunkt
254 · 254-255 °C (lit.)
Siedepunkt
348.7 · 348.7±15.0 °C(Predicted)
Dichte
1.339 · 1.339±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
Soluble in DMSO
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.9%): 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)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazards SummaryIntraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See Quinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.9%)

Sicherheitsdaten

wgk
3
hs_code
29334900
RTECS-Nr.
GD3850000
risk_code
36/37/38-36/38
hazard_code
Xi
safety_code
26-36-37/39

Chemie und Industrie

Anwendungen

VerwendenQuinoline-4-carboxylic Acid for small therapeutic agent compounds.

Anbieter50 Anbieter

河北凡博医药科技有限公司15588346797
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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