2-(3-Bromophenyl)ethan-1-ol

HCID 2734090CAS 28229-69-8

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Grundinformationen

Standard-SMILES: OCCc1cccc(Br)c1
InChIKey: PTTFLKHCSZSFOL-UHFFFAOYSA-N
Summenformel: C8H9BrO
Durchschnittliche Molmasse: 201,06 g/mol
Monoisotopische Masse: 199,98367701

Namen und Bezeichner

Bevorzugter Name: 2-(3-Bromophenyl)ethan-1-ol
IUPAC: 2-(3-bromophenyl)ethanol
Englischer Name: 3-Bromophenethyl alcohol
Summenformel: C8H9BrO
Molmasse: 201.06

Namen und Synonyme

2-(3-bromophenyl)ethan-1-olRefChem:455278691-780-73-Bromophenethyl alcohol28229-69-82-(3-Bromophenyl)ethanolBenzeneethanol, 3-bromo-3-BromobenzeneethanolMFCD001918573-(2-hydroxyethyl)bromobenzene2-(3-bromophenyl)-ethanol2-(3-Bromophenyl)-1-ethanol

Weitere Namen anzeigen

m-Bromophenylethanol3-Bromophenethylacohol3-BROMOPHENYLETHYL ALCOHOL3-Bromophenethylalcohol,97%3-Bromophenethyl alcohol 97%

2-(3-Bromophenyl)ethyl AlcoholAB3194AKOS009157833CS-W007864SY006105TS-02854B35173-BROMOPHENETHYLALCOHOL

Datenbank-Bezeichner

CAS: 28229-69-8
PubChem CID: 2734090
DTXSID: DTXSID20370116
UNII: KL2LD38BG7
EC Number: 691-780-7
Nikkaji: J1.421.976E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 95,3

Physikochemische Eigenschaften

Siedepunkt: 107 · 107-110 °C/1 mmHg (lit.)
Dichte: 1.478 g/mL · 1.478 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5732(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
pka: 14.83 · 14.83±0.10(Predicted)
Farbe: Clear colorless
InChI: 1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChIKey: PTTFLKHCSZSFOL-UHFFFAOYSA-N
SMILES: OCCc1cccc(Br)c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29062990
hazard_code: Xi
hazard_note: Harmful/Irritant/Keep Cold
safety_code: 24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden3-Bromophenethyl alcohol may be used as a starting material in the synthesis of its mesylate derivative (m-Br-C6H4CH2CH2OMs) by treatment with mesyl chloride.