2-Brom-4-chlorphenol

2-Bromo-4-chlorophenol

HCID 69670CAS 695-96-5

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Grundinformationen

Standard-SMILES: Oc1ccc(Cl)cc1Br
InChIKey: ZIYRDJLAJYTELF-UHFFFAOYSA-N
Summenformel: C6H4BrClO
Durchschnittliche Molmasse: 207,45 g/mol
Monoisotopische Masse: 205,91340453

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-chlorophenol
IUPAC: 2-bromo-4-chlorophenol
Lokaler Name: 2-Brom-4-chlorphenol
Englischer Name: 2-Bromo-4-chlorophenol
Summenformel: C6H4BrClO
Molmasse: 207.45

Namen und Synonyme

2-Bromo-4-chlorophenol695-96-5Phenol, 2-bromo-4-chloro-EINECS 211-785-6NSC 59695DTXSID20219733RefChem:85714DTXCID70142224Phenol, 2-bromo-4-chloro-(8CI)Phenol, 2-bromo-4-chloro-(8CI)(9CI)211-785-6InChI=1/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9

Weitere Namen anzeigen

O-broMo-chloro-phenol2-Bromo-4-chlorophenol 98%2-Bromo-4-chlorophenol >2-Bromo-4-chlorophenol, 98+%2-Bromo-4-chlorophenol, 99+%2-BroMo-4-chlorophenol, 99+% 25GR2-Bromo-4-chlorophenol,695-96-5,OLED Intermediates,organic synthetic intermediate

ZIYRDJLAJYTELF-UHFFFAOYSA-N4-Chloro-2-bromophenol2-bromo-4-chloro-phenolMFCD00002319NSC-59695Phenol, 2-bromo-4-chloro-; 2-Bromo-4-chlorophenol; NSC 59695NSC596952-bromo-4-chorophenol

Datenbank-Bezeichner

CAS: 695-96-5
PubChem CID: 69670
DTXSID: DTXSID20219733
UNII: BCR4U2R8JW
EC Number: 211-785-6
Nikkaji: J101.731D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,1

Physikochemische Eigenschaften

Schmelzpunkt: 31 · 31-33 °C (lit.)
Siedepunkt: 121 · 121-123 °C/10 mmHg (lit.)
Dichte: 1.6027 · 1.6027 (rough estimate)
Brechungsindex: 1.573 · 1.5730 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 0.1 g/mL, · methanol: 0.1 g/mL, clear
pka: 7.98 · 7.98±0.18(Predicted)
Aggregatzustand: powder to lump to clear liquid
Farbe: White or Colorles to Yellow to Orange
BRN: 2042871 · 2042871
InChI: InChI=1S/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChIKey: ZIYRDJLAJYTELF-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Cl)C=C1Br
CAS Datenbank: 695 · 695-96-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · Phenol, 2-bromo-4-chloro-(695-96-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (10.9%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (10.9%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2020 6.1/PG 3
hs_code: 29081000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-28-36/39-24/25
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3