4,5-Dichloro-2-nitrophenol

HCID 38248CAS 39224-65-2

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1cc(Cl)c(Cl)cc1O
InChIKey: CEFFUJIHZMPDID-UHFFFAOYSA-N
Summenformel: C6H3Cl2NO3
Durchschnittliche Molmasse: 208 g/mol
Monoisotopische Masse: 206,9489983

Namen und Bezeichner

Bevorzugter Name: 4,5-Dichloro-2-nitrophenol
IUPAC: 4,5-dichloro-2-nitrophenol
Englischer Name: 4,5-DICHLORO-2-NITROPHENOL
Summenformel: C6H3Cl2NO3
Molmasse: 208

Namen und Synonyme

4,5-DICHLORO-2-NITROPHENOL39224-65-2DTXSID10192485RefChem:96454DTXCID20114976639-428-3Phenol, 4,5-dichloro-2-nitro-MFCD0983617045-Dichloro-2-nitrophenol3,4-dichloro-6-nitrophenolSCHEMBL3051094,5-dichloro-2-nitro-phenol

Weitere Namen anzeigen

,5-Dichloro-2-nitrophenol

CL9439AKOS007929976PS-31075-Dichloro-2-nitrophenol4,5-Dichloro-2-nitrophenol 98%PBA22465SBB055238AC-28573

Datenbank-Bezeichner

CAS: 39224-65-2
PubChem CID: 38248
DTXSID: DTXSID10192485
EC Number: 639-428-3
Nikkaji: J1.568.745B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 66,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 184

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82-82.5℃
Siedepunkt: 274 · 274.0±35.0 °C(Predicted)
Dichte: 1.682 · 1.682±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: crystalline solid
pka: 5.31 · 5.31±0.27(Predicted)
Farbe: Lemon / yellow
InChI: InChI=1S/C6H3Cl2NO3/c7-3-1-5(9(11)12)6(10)2-4(3)8/h1-2,10H
InChIKey: CEFFUJIHZMPDID-UHFFFAOYSA-N
SMILES: C1(O)=CC(Cl)=C(Cl)C=C1[N+]([O-])=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning 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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2908990000

Chemie und Industrie

Anwendungen

Verwenden4,5-Dichloro-2-nitrophenol is used in the synthesis of dimethylpropanthioates as CETP inhibitors. Also used in the improved synthesis of hydroxyindoles.