5-Brom-1,2,3-trimethoxybenzol

5-Bromo-1,2,3-trimethoxybenzene

HCID 75885CAS 2675-79-8

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Grundinformationen

Standard-SMILES: COc1cc(Br)cc(OC)c1OC
InChIKey: XAOOZMATJDXDQJ-UHFFFAOYSA-N
Summenformel: C9H11BrO3
Durchschnittliche Molmasse: 247,09 g/mol
Monoisotopische Masse: 245,98916

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-1,2,3-trimethoxybenzene
IUPAC: 5-bromo-1,2,3-trimethoxybenzene
Lokaler Name: 5-Brom-1,2,3-trimethoxybenzol
Englischer Name: 1-Bromo-3,4,5-trimethoxybenzene
Summenformel: C9H11BrO3
Molmasse: 247.09

Namen und Synonyme

1-Bromo-3,4,5-trimethoxybenzene2675-79-85-Bromo-1,2,3-trimethoxybenzeneEINECS 220-223-9DTXSID90181256RefChem:532664DTXCID00103747220-223-93,4,5-TrimethoxybromobenzeneBenzene, 5-bromo-1,2,3-trimethoxy-MFCD000171695-bromo-1,2,3-trimethoxy-benzene

Weitere Namen anzeigen

BROMOTRIMETHOXYBENZENE3,4,5-Trimethoxybromoben3,4,5-rimethoxyboromobenzene3,4,5-Trimethoxyphenyl bromide3,4,5-triemethoxyphenylbromide5-Bromopyrogallol trimethyl ether

5JG6HF8BMB3,4,5-TrimethoxybrombenzeneSCHEMBL4297563,4,5-trimethoxyphenylbromide3,4,5-trimethoxy-bromobenzeneSCHEMBL289424831,2,3-trimethoxy-5-bromobenzene3,4,5-Trimethoxy-1-bromobenzene

Datenbank-Bezeichner

CAS: 2675-79-8
PubChem CID: 75885
DTXSID: DTXSID90181256
UNII: 5JG6HF8BMB
EC Number: 220-223-9
Nikkaji: J192.188F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 27,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Schmelzpunkt: 78 · 78-82 °C(lit.)
Siedepunkt: 273 °C/747mmHg · 273°C/747mmHg(lit.)
Dichte: 1.5463 · 1.5463 (rough estimate)
Brechungsindex: 1.473 · 1.4730 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light orange
Wasserlöslichkeit: Insoluble in water.
InChI: InChI=1S/C9H11BrO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3
InChIKey: XAOOZMATJDXDQJ-UHFFFAOYSA-N
SMILES: C1(OC)=CC(Br)=CC(OC)=C1OC
CAS Datenbank: 2675 · 2675-79-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (86.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 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 CategoriesSkin Irrit. 2 (13.3%)；Skin Sens. 1 (86.7%)；Eye Irrit. 2 (13.3%)；STOT SE 3 (11.1%)

Sicherheitsdaten

wgk: 3
hs_code: 2909309090
risk_code: 43
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Skin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden5-Bromo-1,2,3-trimethoxybenzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.