Chinazolin

Quinazoline

HCID 9210CAS 253-82-7

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Grundinformationen

Standard-SMILES: c1ccc2ncncc2c1
InChIKey: JWVCLYRUEFBMGU-UHFFFAOYSA-N
Summenformel: C8H6N2
Durchschnittliche Molmasse: 130,15 g/mol
Monoisotopische Masse: 130,05309819

Überblick

Quinazoline is a mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms. It is a mancude organic heterobicyclic parent, a member of quinazolines, an azaarene and an ortho-fused heteroarene.

Namen und Bezeichner

Bevorzugter Name: Quinazoline
IUPAC: quinazoline
Lokaler Name: Chinazolin
Englischer Name: Quinazoline
Summenformel: C8H6N2
Molmasse: 130.15

Namen und Synonyme

QUINAZOLINE253-82-7Phenmiazine1,3-Benzodiazine1,3-Diazanaphthalene5,6-BenzopyrimidineChinazolinBenzo[a]pyrimidineBenzo(a)pyrimidineUNII-UB9QUR18NLUB9QUR18NLBenzo(e)pyrimidine

Weitere Namen anzeigen

Quinazoline 99%BenzopyrimidineQuinazoline >Quinazoline ,98%Benzo[d]pyrimidine

4.5-BenzopyrimidineQUINAZOLINE [MI]EINECS 205-965-3NSC 72372NSC-72372DTXSID7075214CHEBI:36621RefChem:178168

Datenbank-Bezeichner

CAS: 253-82-7
PubChem CID: 9210
DTXSID: DTXSID7075214
ChEMBL: CHEMBL301359
ChEBI: CHEBI:36621
UNII: UB9QUR18NL
EC Number: 205-965-3
Nikkaji: J5.442I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 114

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesAngular frequency

Ionization Efficiency · 6 Einträge

Positive

3.02

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physikochemische Eigenschaften

Schmelzpunkt: 46 · 46-48 °C (lit.)
Siedepunkt: 243 °C · 243 °C (lit.)
Dichte: 1.2002 · 1.2002 (rough estimate)
Brechungsindex: 1.6231 · 1.6231 (estimate)
Flammpunkt: 224 °F · 224 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 2 O: · H2O: freely soluble
pka: 3.43 · 3.43(at 20℃)
Aggregatzustand: Crystalline Powder, Crystals and/or Chunks
Farbe: Yellow to beige to brownish
Wasserlöslichkeit: 2 O: · H2O: freely solubleorganic solvents: soluble
Merck: 14 · 14,8053
BRN: 109370 · 109370
InChI: 1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H
InChIKey: JWVCLYRUEFBMGU-UHFFFAOYSA-N
SMILES: c1ccc2ncncc2c1
CAS Datenbank: 253 · 253-82-7(CAS DataBase Reference)
NIST chemische Informationen: Quinazoline(253-82-7)
EPA chemische Informationen: Quinazoline (253-82-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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)

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

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26-23
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenQuinazoline was used to study the electrochemical behaviour of quinazoline using modern polarographic and voltammetric methods. It is the basic structural unit of pharmaceuticals and plays an important role in modern synthesis of antitumor drugs.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

5-Nitroisochinolin Quinazoline, 1,4-dihydro-4-Quinazolinecarboxamide 4-Chloroquinazoline 4-Quinazolinemethanol, α-(4-methoxyphenyl)-α-methyl-ortho-Nitrobenzaldehydedimethylacetal 2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepine 2(1H)-Quinazolinone (6CI,8CI,9CI)Benz[c]isoxazol 2-Aminobenzylamine

Nachgelagerte Produkte

Quinapril Terazosin 7-Chlor-1,3-dihydro-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-ylacetat Demoxepam Doxazosin Alfuzosin hydrochloride Bunazosin hydrochloride 4-Chloroquinazoline Quinazolin-4-ylamine

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.