6-Brom-3,4-dimethoxybenzaldehyd

6-Bromo-3,4-dimethoxybenzaldehyde

HCID 79351CAS 5392-10-9

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Grundinformationen

Standard-SMILES: COc1cc(Br)c(C=O)cc1OC
InChIKey: UQQROBHFUDBOOK-UHFFFAOYSA-N
Summenformel: C9H9BrO3
Durchschnittliche Molmasse: 245,07 g/mol
Monoisotopische Masse: 243,97350625

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-3,4-dimethoxybenzaldehyde
IUPAC: 2-bromo-4,5-dimethoxybenzaldehyde
Lokaler Name: 6-Brom-3,4-dimethoxybenzaldehyd
Englischer Name: 6-Bromoveratraldehyde
Summenformel: C9H9BrO3
Molmasse: 245.07

Namen und Synonyme

6-Bromoveratraldehyde2-Bromo-4,5-dimethoxybenzaldehyde5392-10-96-Bromo-3,4-dimethoxybenzaldehyde6-BromoveratralVeratraldehyde, 6-bromo-DTXSID60202200EINECS 226-390-4AI3-312883,4-Dimethoxy-6-bromobenzaldehydeNSC 3254RefChem:104295

Weitere Namen anzeigen

AKOS B005109TIMTEC-BB SBB003186Bromoveratraldehyde6- bromoperaldehyde6-BROMOVEZATALDEHYDE6-BROMOVERATRALDEHYDE 98%6-Bromoveratraldehyde,97%6-BroMoveratraldehyde, 98%, 98%

DTXCID20124691226-390-4UQQROBHFUDBOOK-UHFFFAOYSA-NBenzaldehyde, 2-bromo-4,5-dimethoxy-MFCD00003301CHEMBL2181109NSC-3254BBL022913

Datenbank-Bezeichner

CAS: 5392-10-9
PubChem CID: 79351
DTXSID: DTXSID60202200
ChEMBL: CHEMBL2181109
UNII: DX8K9VA6TF
EC Number: 226-390-4
Nikkaji: J217.944J

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

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 150 · 150-151 °C (lit.)
Siedepunkt: 316.1 · 316.1±37.0 °C(Predicted)
Dichte: 1.5955 · 1.5955 (rough estimate)
Brechungsindex: 1.473 · 1.4730 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Yellow to Orange
Wasserlöslichkeit: Insoluble in water.
BRN: 2052355 · 2052355
InChI: InChI=1S/C9H9BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3
InChIKey: UQQROBHFUDBOOK-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(OC)=C(OC)C=C1Br
CAS Datenbank: 5392 · 5392-10-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.