5-Bromo-2,3-dimethoxybenzaldehyde

HCID 322405CAS 71295-21-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COc1cc(Br)cc(C=O)c1OC
InChIKey: RVMWFOFQRYTRHZ-UHFFFAOYSA-N
Summenformel: C9H9BrO3
Durchschnittliche Molmasse: 245,07 g/mol
Monoisotopische Masse: 243,97351

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2,3-dimethoxybenzaldehyde
IUPAC: 5-bromo-2,3-dimethoxybenzaldehyde
Englischer Name: 5-Bromo-2 3-dimethoxybenzaldehyde 97
Summenformel: C9H9BrO3
Molmasse: 245.07

Namen und Synonyme

5-Bromo-2,3-dimethoxybenzaldehydeDTXSID60314014RefChem:532935DTXCID60265138627-368-071295-21-1MFCD02611624NSC279839Cambridge id 6549019SCHEMBL127848RVMWFOFQRYTRHZ-UHFFFAOYSA-N5-Bromo-2-thoxy-3-mthoxybnzaldhyd

Weitere Namen anzeigen

5-Bromo-2 3-dimethoxybenzaldehyde 975-BroMo-2,3-diMethoxybenzaldehyde 97%

WCA295215-bromo-2,3-dimethoxy-benzaldehydeSBB099942STK201257AKOS000326676Benzaldehyde, 5-bromo-2,3-dimethoxy-NSC-2798395-bromo-2,3-bis(methyloxy)benzaldehyde

Datenbank-Bezeichner

CAS: 71295-21-1
PubChem CID: 322405
DTXSID: DTXSID60314014
EC Number: 627-368-0
Nikkaji: J2.618.638B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Schmelzpunkt: 81 · 81-84 °C (lit.)
Siedepunkt: 312.7 · 312.7±37.0 °C(Predicted)
Dichte: 1.482 · 1.482±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
InChI: 1S/C9H9BrO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3
InChIKey: RVMWFOFQRYTRHZ-UHFFFAOYSA-N
SMILES: COc1cc(Br)cc(C=O)c1OC

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 (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)

Aggregated GHS information provided per 40 reports by companies from 3 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.