[1,1'-Biphenyl]-4-carboxylicacid, 4'-bromo-, methyl ester

HCID 737627CAS 89901-03-1

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc(-c2ccc(Br)cc2)cc1
InChIKey: JHNMJLKCONRGMK-UHFFFAOYSA-N
Summenformel: C14H11BrO2
Durchschnittliche Molmasse: 291,14 g/mol
Monoisotopische Masse: 289,99424169

Namen und Bezeichner

Bevorzugter Name: [1,1'-Biphenyl]-4-carboxylicacid, 4'-bromo-, methyl ester
IUPAC: methyl 4-(4-bromophenyl)benzoate
Englischer Name: Methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate
Summenformel: C14H11BrO2
Molmasse: 291.14

Namen und Synonyme

methyl 4'-bromo[1,1'-biphenyl]-4-carboxylate[1,1'-Biphenyl]-4-carboxylicacid, 4'-bromo-, methyl esterMethyl 4'-bromo(1,1'-biphenyl)-4-carboxylate(1,1'-Biphenyl)-4-carboxylicacid, 4'-bromo-, methyl esterRefChem:391123687-289-289901-03-1methyl 4-(4-bromophenyl)benzoateMethyl 4'-bromo-[1,1'-biphenyl]-4-carboxylatemethyl 4'-bromobiphenyl-4-carboxylateMFCD00496638[1,1'-Biphenyl]-4-carboxylic acid, 4'-bromo-, methyl ester

Weitere Namen anzeigen

AKOS BAR-2392Methyl 4'-bromobiphenyl-4-carboxylate, 95%4′-Bromobiphenyl-4-carboxylic acid methyl esterMethyl 4'-bromo-[1,1'-biphenyl]-4-carboxylate 95%Methyl 4′-bromo[1,1′-biphenyl]-4-carboxylate, CAS 89901-03-1

4'-Bromo-biphenyl-4-carboxylic acid methyl estermethyl 4'-bromo-biphenyl-4-carboxylateCS-01312552W-0305YSZC804Methyl 4-(4-bromFT-0680234Methyl4'-bromo-[1,1'-biphenyl]-4-carboxylate

Datenbank-Bezeichner

CAS: 89901-03-1
PubChem CID: 737627
DTXSID: DTXSID30353273
EC Number: 687-289-2
Nikkaji: J2.234.810H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 251

Physikochemische Eigenschaften

Schmelzpunkt: 146 · 146-148°C
Siedepunkt: 382.7 · 382.7±25.0 °C(Predicted)
Dichte: 1.394 · 1.394±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Aggregatzustand: solid
Wasserlöslichkeit: Slightly soluble in water.
InChI: 1S/C14H11BrO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
InChIKey: JHNMJLKCONRGMK-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)-c2ccc(Br)cc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.