5-Bromo-2-hydroxybenzyl alcohol (HCID 75342)

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-hydroxybenzyl alcohol
IUPAC: 4-bromo-2-(hydroxymethyl)phenol
Englischer Name: 5-Bromo-2-hydroxybenzyl alcohol
Summenformel: C7H7BrO2
Molmasse: 203.03

Namen und Synonyme

2316-64-55-Bromo-2-hydroxybenzyl alcohol4-Bromo-2-(hydroxymethyl)phenolBromosaligeninBenzyl alcohol, 5-bromo-2-hydroxy-UNII-Y1UZ53815EY1UZ53815EEINECS 219-026-0NSC-13010BROMOSALIGENIN [MI]4-Bromo-2-hydroxymethyl-phenolDTXSID30177739

Weitere Namen anzeigen

RARECHEM AL BD 00402-HYDROXYMETHYL-4-BROMOPHENOL4-BROMO-2-HYDROXYMETHYLPHENOL5-Bromo-2-hydroxybenzenemethanol5-BROMO-2-HYDROXYBENZYL ALCOHOL 98%5-Bromo-2-hydroxybenzyl Alcohol >

NSC 13010RefChem:102131DTXCID40100230InChI=1/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4HKNKRHSVKIORZQB-UHFFFAOYSA-N5-Bromosalicyl alcohol5-BromosaligeninBenzenemethanol, 5-bromo-2-hydroxy-

Datenbank-Bezeichner

CAS: 2316-64-5
PubChem CID: 75342
DTXSID: DTXSID30177739
UNII: Y1UZ53815E
EC Number: 219-026-0
Nikkaji: J7.397K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 108

Physikochemische Eigenschaften

Schmelzpunkt: 110 · 110-112 °C (lit.)
Siedepunkt: 281.8 · 281.8±10.0 °C(Predicted)
Dichte: 1.5178 · 1.5178 (rough estimate)
Brechungsindex: 1.462 · 1.4620 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 0.7 % · water: soluble0.7% at 25°C(lit.)
Aggregatzustand: Crystalline Powder or Flakes
pka: 9.36 · 9.36±0.18(Predicted)
Farbe: White to light brown
Wasserlöslichkeit: 0.7 % · water: soluble 0.7% at25°C(lit.)olive oil: soluble 4.8%(lit.)alcohol: freely soluble(lit.)benzene: moderately soluble(lit.)chloroform: moderately soluble(lit.)diethyl ether: freely soluble(lit.)ethyl acetate: freely soluble(lit.)hot water: soluble(lit.)
BRN: 509726 · 509726
InChI: 1S/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2
InChIKey: KNKRHSVKIORZQB-UHFFFAOYSA-N
SMILES: OCc1cc(Br)ccc1O
CAS Datenbank: 2316 · 2316-64-5(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 (97.7%): 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 44 reports by companies from 4 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29081990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden5-Bromo-2-hydroxybenzyl alcohol was used in the synthesis of:7-bromo-2,3-diphenyl-5H-imidazo[2,1-b][1,3]benzoxazine6-bromo-2-octyl-4H-1,3,2-benzodioxaphosphorin 2-oxide4-bromo-2-(5-iodo-1H-indol-3-ylmethyl)- phenol