2-Bromo-5-methoxyphenol

HCID 13493839

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Grundinformationen

CAS: 63604-94-4
Standard-SMILES: COc1ccc(Br)c(O)c1
InChIKey: KHGMUWBYGFWGCZ-UHFFFAOYSA-N
Summenformel: C7H7BrO2
Durchschnittliche Molmasse: 203,03 g/mol
Monoisotopische Masse: 201,96294

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-methoxyphenol
IUPAC: 2-bromo-5-methoxyphenol
Englischer Name: 2-Bromo-5-methoxyphenol
Summenformel: C7H7BrO2
Molmasse: 203.03

Namen und Synonyme

2-Bromo-5-methoxyphenol63604-94-4DTXSID60542153RefChem:85779DTXCID30492939613-281-54-Bromo-3-hydroxyanisoleMFCD034285232-bromo-5-methoxy-phenolPHENOL, 2-BROMO-5-METHOXY-2-Bromo-5-methoxy phenol1-bromo-2-hydroxy-4-methoxy benzene

Weitere Namen anzeigen

2-bromine-5-methoxyphenol2-Bromo-5-methoxyphenol 98%

4-bromo-3-hydroxyanisol2-bromo -5-methoxyphenolSCHEMBL154623KHGMUWBYGFWGCZ-UHFFFAOYSA-N1-Bromo-2-hydroxy-4methoxybenzene1-Bromo-2-hydroxy-4-methoxybenzeneAKOS005259403CS-W003079

Datenbank-Bezeichner

CAS: 63604-94-4
PubChem CID: 13493839
DTXSID: DTXSID60542153
EC Number: 613-281-5
Nikkaji: J915.695J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 108

Physikochemische Eigenschaften

Schmelzpunkt: 152 °C · 152 °C
Siedepunkt: 253.3 · 253.3±20.0 °C(Predicted)
Dichte: 1.585 · 1.585±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 8.05 · 8.05±0.10(Predicted)
Farbe: Light brown to pink
InChI: InChI=1S/C7H7BrO2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChIKey: KHGMUWBYGFWGCZ-UHFFFAOYSA-N
SMILES: C1(O)=CC(OC)=CC=C1Br

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.；There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).；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.