3,5-Dibromophenol

HCID 12280

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Grundinformationen

CAS: 626-41-5
Standard-SMILES: Oc1cc(Br)cc(Br)c1
InChIKey: PZFMWYNHJFZBPO-UHFFFAOYSA-N
Summenformel: C6H4Br2O
Durchschnittliche Molmasse: 251,9 g/mol
Monoisotopische Masse: 249,86289

Namen und Bezeichner

Bevorzugter Name: 3,5-Dibromophenol
IUPAC: 3,5-dibromophenol
Englischer Name: 3,5-Dibromophenol
Summenformel: C6H4Br2O
Molmasse: 251.9

Namen und Synonyme

3,5-DIBROMOPHENOLPhenol, 3,5-dibromo-DTXSID70211646RefChem:91445DTXCID00134137629-188-8626-41-53,5-DibromphenolMFCD064113763,5-Dibromophenol, 97%SCHEMBL309955TD1260

Weitere Namen anzeigen

3,5-Dlbromophenol3,5-Dibromophenol>Phenol, 3,5-dibroMo-3 5-DIBROMOPHENOL 973,5-Dibromophenol 98%Phloroglucinol Impurity 153,5-Dibromophenol pure, 98%3,5-Dibromophenol@100 μg/mL in Toluene

AKOS005068134CS-W007905GS-3389SY012996D3820EN300-1137043,5-Dibromo-phenolBCP05888

Datenbank-Bezeichner

CAS: 626-41-5
PubChem CID: 12280
DTXSID: DTXSID70211646
ChEMBL: CHEMBL450082
EC Number: 629-188-8
Nikkaji: J94.907H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 87

Physikochemische Eigenschaften

Schmelzpunkt: 79 · 79-83 °C (lit.)
Siedepunkt: 122 °C/3mmHg · 122°C/3mmHg(lit.)
Dichte: 1.8854 · 1.8854 (rough estimate)
Brechungsindex: 1.538 · 1.5380 (estimate)
storage temp.: Inert atmosphere,Room Temperature
pka: 1 · pK1:8.056 (25°C)
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light orange
Wasserlöslichkeit: Sightly soluble in water. Soluble in methanol.
InChI: 1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey: PZFMWYNHJFZBPO-UHFFFAOYSA-N
SMILES: Oc1cc(Br)cc(Br)c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 43 reports by companies from 6 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29081990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant/Keep Cold
safety_code: 26-36
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3