3-brom-4-hydroxyphenylessigsure

3-Bromo-4-hydroxyphenylacetic acid

HCID 2769628CAS 38692-80-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(O)Cc1ccc(O)c(Br)c1
InChIKey: BFVCOQXPSXVGPS-UHFFFAOYSA-N
Summenformel: C8H7BrO3
Durchschnittliche Molmasse: 231,04 g/mol
Monoisotopische Masse: 229,95786

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-4-hydroxyphenylacetic acid
IUPAC: 2-(3-bromo-4-hydroxyphenyl)acetic acid
Lokaler Name: 3-brom-4-hydroxyphenylessigsure
Englischer Name: 3-Bromo-4-hydroxyphenylacetic acid
Summenformel: C8H7BrO3
Molmasse: 231.04

Namen und Synonyme

3-Bromo-4-hydroxyphenylacetic acid38692-80-7U77FZB4AX8EINECS 254-089-8DTXSID20191984Benzeneacetic acid, 3-bromo-4-hydroxy-ACETIC ACID, (3-BROMO-4-HYDROXYPHENYL)-RefChem:93168DTXCID60114475254-089-82-(3-bromo-4-hydroxyphenyl)acetic acidMFCD00016833

Weitere Namen anzeigen

3-Bromo-4-hydroxyphenyl

3-bromo-4-hydroxybenzeneacetic acid2-[3-bromo-4-hydroxyphenyl]acetic acid(3-bromo-4-hydroxyphenyl)acetic acid3-Bromo-4-hydroxyphenylaceticacid(3-Bromo-4-hydroxy-phenyl)-acetic acid2-(3-bromo-4-hydroxy-phenyl)acetic acidUNII-U77FZB4AX8SCHEMBL134713

Datenbank-Bezeichner

CAS: 38692-80-7
PubChem CID: 2769628
DTXSID: DTXSID20191984
UNII: U77FZB4AX8
EC Number: 254-089-8
Nikkaji: J267.296K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Schmelzpunkt: 105 · 105-107℃
Siedepunkt: 364 ℃ · 364℃
Dichte: 1.757 · 1.757
Flammpunkt: 174 ℃ · 174℃
storage temp.: Sealed in dry,Room Temperature
pka: 4.33 · 4.33±0.10(Predicted)
CAS Datenbank: 38692 · 38692-80-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): 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 2 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.