2-Bromindan-1-ol

2-Bromo-1-indanol

HCID 95444CAS 5400-80-6

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Grundinformationen

Standard-SMILES: OC1c2ccccc2CC1Br
InChIKey: RTESDSDXFLYAKZ-UHFFFAOYSA-N
Summenformel: C9H9BrO
Durchschnittliche Molmasse: 213,07 g/mol
Monoisotopische Masse: 211,98368

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1-indanol
IUPAC: 2-bromo-2,3-dihydro-1H-inden-1-ol
Lokaler Name: 2-Bromindan-1-ol
Englischer Name: 2-Bromo-1-indanol
Summenformel: C9H9BrO
Molmasse: 213.07

Namen und Synonyme

2-Bromo-1-indanol5400-80-62-Bromoindan-1-olNSC-103894E68V72BZADTXSID701316516RefChem:1062430DTXCID40893690226-442-62-bromo-2,3-dihydro-1H-inden-1-ol1-Hydroxy-2-bromoindan2-Bromo-1-hydroxyindane

Weitere Namen anzeigen

2-Bromo-1-indano2-Bromo-1-indanoleIndenebromohydrine2- bromo -1- indenol2-Bromo-1-indanol,99%2-Bromo-1-indanol >2-BROM-1-HYDROXYINDANE

Indene bromohydrinMFCD00003798trans-2-Bromo-1-indanol1H-Inden-1-ol, 2-bromo-2,3-dihydro-1-Indanol, 2-bromo-2-Bromo-1-hydroxyhydrindeneNSC10389EINECS 226-442-6

Datenbank-Bezeichner

CAS: 5400-80-6
PubChem CID: 95444
DTXSID: DTXSID701316516
UNII: 4E68V72BZA
EC Number: 226-442-6
Nikkaji: J208.139C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 148

Physikochemische Eigenschaften

Schmelzpunkt: 129 · 129-132 °C(lit.)
Siedepunkt: 247.5 °C · 247.5°C (rough estimate)
Dichte: 1.3841 · 1.3841 (rough estimate)
Brechungsindex: 1.572 · 1.5720 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 13.19 · 13.19±0.40(Predicted)
Farbe: White to Light yellow to Light orange
BRN: 2046877 · 2046877
InChI: InChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2
InChIKey: RTESDSDXFLYAKZ-UHFFFAOYSA-N
SMILES: C1(O)C2=C(C=CC=C2)CC1Br
CAS Datenbank: 5400 · 5400-80-6(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 (83.3%): 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 6 reports by companies from 3 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.