2,4-Dichlor-6-nitrophenol

2,4-Dichloro-6-nitrophenol

HCID 11871

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Grundinformationen

CAS: 609-89-2
Standard-SMILES: O=[N+]([O-])c1cc(Cl)cc(Cl)c1O
InChIKey: LYPMXMBQPXPNIQ-UHFFFAOYSA-N
Summenformel: C6H3Cl2NO3
Durchschnittliche Molmasse: 208 g/mol
Monoisotopische Masse: 206,94899832

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-6-nitrophenol
IUPAC: 2,4-dichloro-6-nitrophenol
Lokaler Name: 2,4-Dichlor-6-nitrophenol
Englischer Name: 2,4-Dichloro-6-nitrophenol
Summenformel: C6H3Cl2NO3
Molmasse: 208

Namen und Synonyme

2,4-DICHLORO-6-NITROPHENOL609-89-2Phenol, 2,4-dichloro-6-nitro-DTXSID00209738RefChem:823642,4-DC6NPDTXCID50132229210-202-24,6-dichloro-2-nitrophenol2,4-Dichlor-6-nitrofenolMFCD000071012,4-Dichlor-6-nitrofenol [Czech]

Weitere Namen anzeigen

2,4-Dichloro-6-nitro4-Dichloro-6-nitrophenol2,4-dichloro-6-nitro-phenoMoistsolidcontaining20%water2,4-Dichloro-6-nitrophenol, 98+%

EINECS 210-202-2NSC 38660BRN 20500812-Nitro-4,6-dichlorophenol2,4-dichloro-6-nitro-phenolAI3-149292,4-Dichlor-6-nitrofenol [Czech]WLN: WNR BQ CG EG

Datenbank-Bezeichner

CAS: 609-89-2
PubChem CID: 11871
DTXSID: DTXSID00209738
EC Number: 210-202-2
Nikkaji: J2.079F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitrophenols

Vapor Pressure0.000057 [mmHg]

Physical DescriptionCrystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 118 · 118-120 °C (lit.)
Siedepunkt: 242.8 · 242.8±35.0 °C(Predicted)
Dichte: 1.5643 · 1.5643 (rough estimate)
Brechungsindex: 1.639 · 1.6390 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Powder
pka: 4 · 4+-.0.38(Predicted)
Farbe: Yellow
BRN: 2050081 · 2050081
InChI: 1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H
InChIKey: LYPMXMBQPXPNIQ-UHFFFAOYSA-N
SMILES: Oc1c(Cl)cc(Cl)cc1[N+]([O-])=O
CAS Datenbank: 609 · 609-89-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · Phenol, 2,4-dichloro-6-nitro-(609-89-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Gefahrenhinweise

Hazards SummaryA moderate eye irritant; [RTECS] An irritant; Toxic by ingestion; [Sigma-Aldrich MSDS] See 4-Fluoro-2-nitrophenol and 2-Nitrophenol.

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (100%)

Serious eye damage/eye irritation - Category 2A-2B

Sicherheitsdaten

F: 4.5
wgk: 3
ridadr: UN 2811
hs_code: 29089990
RTECS-Nr.: SL0350000
risk_code: 22-36-41-20/21/22
hazard_code: Xn
safety_code: 26-36/37/39-28
hazard_class: 4.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden2,4-Dichloro-6-nitrophenol, a specific inhibitor of sulfotransferases, was used to reduce the neosynthesis of [3H] pregnenolone sulfate (Δ5PS) and [3H]dehydroepiandrosterone sulfate (DHEAS).