2-Hydroxy-5-methoxy-3-nitrobenzaldehyde

HCID 522218CAS 34549-69-4
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Grundinformationen

Standard-SMILES
COc1cc(C=O)c(O)c([N+](=O)[O-])c1
InChIKey
CCHTVTHOPTTYSY-UHFFFAOYSA-N
Summenformel
C8H7NO5
Durchschnittliche Molmasse
197,14 g/mol
Monoisotopische Masse
197,03242232

Namen und Bezeichner

Bevorzugter Name
2-Hydroxy-5-methoxy-3-nitrobenzaldehyde
IUPAC
2-hydroxy-5-methoxy-3-nitrobenzaldehyde
Englischer Name
2-HYDROXY-5-METHOXY-3-NITRO-BENZALDEHYDE
Summenformel
C8H7NO5
Molmasse
197.14

Namen und Synonyme

2-Hydroxy-5-methoxy-3-nitrobenzaldehyde34549-69-42-Hydroxy-5-methoxy-3-nitro-benzaldehyde5-Methoxy-3-nitrosalicylaldehydeMFCD000166402-hydroxy-3-nitro-5-methoxybenzaldehyde3-nitro-5-methoxysalicylaldehydeBenzaldehyde, 2-hydroxy-5-methoxy-3-nitro-Oprea1_105409SCHEMBL4969724SCHEMBL30285913DTXSID50334887
Weitere Namen anzeigen
AKOS AU36-M373ASISCHEM D29245AKOS BBS-000082113-NITRO-5-METHOXYSALICYLALDEHYDE 97%5-METHOXY-3-NITROSALICYLALDEHYDE 97%
ALBB-025576SBB043868STK386202AKOS000274443FH70278FS-6237DB-021187CS-0313565

Datenbank-Bezeichner

CAS
34549-69-4
PubChem CID
522218
DTXSID
DTXSID50334887
EC Number
673-405-9
Nikkaji
J1.095.259J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
92,4 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
2
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
129 · 129-134°C
Siedepunkt
303.1 · 303.1±42.0 °C(Predicted)
Dichte
1.456 · 1.456±0.06 g/cm3(Predicted)
pka
5.28 · 5.28±0.38(Predicted)
Aggregatzustand
powder
InChI
1S/C8H7NO5/c1-14-6-2-5(4-10)8(11)7(3-6)9(12)13/h2-4,11H,1H3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)；Skin Sens. 1 (97.4%)

Sicherheitsdaten

wgk
3
ridadr
UN 2811 6.1 / PGIII
risk_code
25-43
hazard_code
T
safety_code
36/37-45
hazard_class
6.1

Chemie und Industrie

Anwendungen

Verwenden2-Hydroxy-5-methoxy-3-nitrobenzaldehyde is used in preparation of pyrimidine derivatives as VEGF receptor tyrosine kinase inhibitors useful in the treatment of cancer.

Anbieter31 Anbieter

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]

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