5-Bromo-2-methoxyphenylboronic acid

HCID 4532730

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Grundinformationen

CAS: 89694-45-1
Standard-SMILES: COc1ccc(Br)cc1B(O)O
InChIKey: FVRLSHRAYPFXRQ-UHFFFAOYSA-N
Summenformel: C7H8BBrO3
Durchschnittliche Molmasse: 230,85 g/mol
Monoisotopische Masse: 229,97499

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-methoxyphenylboronic acid
IUPAC: (5-bromo-2-methoxyphenyl)boronic acid
Englischer Name: 5-BROMO-2-METHOXYPHENYLBORONIC ACID
Summenformel: C7H8BBrO3
Molmasse: 230.85

Namen und Synonyme

5-Bromo-2-methoxyphenylboronic acid89694-45-1DTXSID204040065-Bromo-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride)RefChem:533309DTXCID70354860627-323-5(5-bromo-2-methoxyphenyl)boronic acidMFCD000934095-BROMO-2-METHOXYBENZENEBORONIC ACID5-BROMO-2-METHOXYPHENYLBORONICACID(5-Bromo-2-methoxy)benzeneboronic acid

Weitere Namen anzeigen

RARECHEM AH PB 00454-Bromoanisole-2-boronic acid2-bromo-5-methoxypyridin-4-ylboronic acidBoronic acid,B-(5-broMo-2-Methoxyphenyl)-5-Bromo-2-methoxyphenylboronic acid - [B1820]

(5-bromo-2-methoxy-phenyl)boronic Acid3-BROMO-6-METHOXYPHENYLBORONIC ACIDBoronic acid, (5-bromo-2-methoxyphenyl)-SCHEMBL1235272FVRLSHRAYPFXRQ-UHFFFAOYSA-N(5-Bromo-2-methoxyphenyl)boronicacid5-bromo-2-methoxy-phenylboronic acid5-bromo-2-methyloxyphenylboronic acid

Datenbank-Bezeichner

CAS: 89694-45-1
PubChem CID: 4532730
DTXSID: DTXSID20404006
EC Number: 627-323-5
Nikkaji: J2.617.190C

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 145

Physikochemische Eigenschaften

Schmelzpunkt: 130 · 130-135 °C(lit.)
Siedepunkt: 378 ℃ · 378℃
Dichte: 1.61 · 1.61
Flammpunkt: 183 ℃ · 183℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 7.58 · 7.58±0.58(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to off-white
InChI: 1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChIKey: FVRLSHRAYPFXRQ-UHFFFAOYSA-N
SMILES: COc1ccc(Br)cc1B(O)O
CAS Datenbank: 89694 · 89694-45-1(CAS DataBase Reference)

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 (97.5%): 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.