4-Bromo-2-naphthol

HCID 12115596

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Grundinformationen

CAS: 5498-31-7
Standard-SMILES: Oc1cc(Br)c2ccccc2c1
InChIKey: PQNQMYMGUXGWTG-UHFFFAOYSA-N
Summenformel: C10H7BrO
Durchschnittliche Molmasse: 223,07 g/mol
Monoisotopische Masse: 221,96803

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-naphthol
IUPAC: 4-bromonaphthalen-2-ol
Englischer Name: 4-bromonaphthalen-2-ol
Summenformel: C10H7BrO
Molmasse: 223.07

Namen und Synonyme

5498-31-74-Bromo-2-naphtholDTXSID40477818RefChem:290772DTXCID404286281-Bromo-3-hydroxynaphthalene4-bromonaphthalen-2-ol4-Bromo-2-naphthalenolMFCD017122602-Naphthalenol, 4-bromo-4-Bromo-naphthalen-2-ol4-bromonapthalen-2-ol

Weitere Namen anzeigen

4-bromonaphthalen-2-ol ISO 9001：2015 REACH

1-bromo-naphtalen-3-ol2-Naphthol, 4-bromo-1-bromo-naphtalene-3-ol4-Brom-2-oxy-naphthalinSCHEMBL1055937SCHEMBL15352189SCHEMBL30049245SCHEMBL30643782

Datenbank-Bezeichner

CAS: 5498-31-7
PubChem CID: 12115596
DTXSID: DTXSID40477818
EC Number: 983-151-3
Nikkaji: J1.074.214E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 122 °C · 122 °C
Siedepunkt: 346.8 · 346.8±15.0 °C(Predicted)
Dichte: 1.614 · 1.614±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 8.76 · 8.76±0.40(Predicted)
Farbe: White to off-white
InChI: InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H
InChIKey: PQNQMYMGUXGWTG-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=C(Br)C=C1O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H332 (50%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.