CAS 27684-84-0 5-Bromo-2-nitrophenol (HCID 13970496)

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Grundinformationen

CAS: 27684-84-0
Standard-SMILES: O=[N+]([O-])c1ccc(Br)cc1O
InChIKey: DTWHNSNSUBKGTC-UHFFFAOYSA-N
Summenformel: C6H4BrNO3
Durchschnittliche Molmasse: 218 g/mol
Monoisotopische Masse: 216,93746

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-nitrophenol
IUPAC: 5-bromo-2-nitrophenol
Englischer Name: PHENOL, 5-BROMO-2-NITRO-
Summenformel: C6H4BrNO3
Molmasse: 218

Namen und Synonyme

5-bromo-2-nitrophenol27684-84-0DTXSID70950346RefChem:102150DTXCID401378507640-271-8MFCD03095027Phenol, 5-bromo-2-nitro-5-bromo-2-nitro-phenol3-Bromo-6-nitrophenolPHENOL,5-BROMO-2-NITRO-SCHEMBL229798

Weitere Namen anzeigen

5-bromo-2-ntrophenol2-Nitro-5-bromophenol5-Bromo-2-nitrophenol 98%5-Bromo-2-nitrophenol, 96%,5-BroMo-2-nitrophenol, 97+%4-Bromo-2-hydroxynitrobenzene

SCHEMBL29751827Phenol, 5-?bromo-?2-?nitro-DTWHNSNSUBKGTC-UHFFFAOYSA-N5-Bromo-2-nitrophenol, AldrichCPRSBB095486AKOS005259358CS-W003014FB11528

Datenbank-Bezeichner

CAS: 27684-84-0
PubChem CID: 13970496
DTXSID: DTXSID70950346
EC Number: 640-271-8
Nikkaji: J801.814F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 66,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Schmelzpunkt: 40 · 40-420C
Siedepunkt: 264.6 · 264.6±20.0 °C(Predicted)
Dichte: 1.881 · 1.881±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in ethyl acetate and methanol.
pka: 6.08 · 6.08±0.13(Predicted)
Aggregatzustand: Crystalline Solid
Farbe: Pale yellow

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 (50%): 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 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.