5-Nitro-1,2,4-trichlorbenzol
2,4,5-Trichloronitrobenzene
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Grundinformationen
- CAS
89-69-0- Standard-SMILES
O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl- InChIKey
IBRBMZRLVYKVRF-UHFFFAOYSA-N- Summenformel
- C6H2Cl3NO2
- Durchschnittliche Molmasse
- 226,4 g/mol
- Monoisotopische Masse
- 224,91511134
Überblick
Prisms or needles in alcohol; yellow powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2,4,5-Trichloronitrobenzene
- IUPAC
- 1,2,4-trichloro-5-nitrobenzene
- Lokaler Name
- 5-Nitro-1,2,4-trichlorbenzol
- Englischer Name
- 1,2,4-Trichloro-5-nitrobenzene
- Summenformel
- C6H2Cl3NO2
- Molmasse
- 226.44
Namen und Synonyme
2,4,5-TRICHLORONITROBENZENE1,2,4-Trichloro-5-nitrobenzene89-69-0Benzene, 1,2,4-trichloro-5-nitro-1-Nitro-2,4,5-trichlorobenzene5-Nitro-1,2,4-trichlorobenzene2,4,5-trichloro-1-nitrobenzene3,4,6-TrichloronitrobenzeneMFCD00007072DTXSID50262030YFY8PZD2M1,4,5-Trichloro-2-nitrobenzene
Weitere Namen anzeigen
2,4,5-TrichloronitroBifeprunox Impurity 522,3-DICHLOROANISOLE PESTANAL1,2,4-trichloro-5-nitro-benzen
NSC-50660NSC-56980NSC-609752,5-TrichloronitrobenzeneWLN: WNR BG DG EG1,4-Trichloro-5-nitrobenzeneBenzene,2,4-trichloro-5-nitro-2,4,5-Trichloronitrobenzene- 13C6
Datenbank-Bezeichner
- CAS
89-69-0- PubChem CID
- 6983
- DTXSID
DTXSID5026203- ChEMBL
CHEMBL1323107- UNII
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 45,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 184
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesBoiling point
LogP3.48
Density1.79 at 73 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 61 °F (NTP, 1992)
Flash Pointgreater than 230 °F (NTP, 1992)
Boiling Point
550 °F at 760 mmHg (NTP, 1992)
208 °C @760 [mm Hg]
Melting Point
135 to 136 °F (NTP, 1992)
57 °C
Vapor Pressure0.000792 [mmHg]
Physical Description
Prisms or needles in alcohol; yellow powder. (NTP, 1992)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 48.1% (37 of 77) of reports.
Danger
H301 (49.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationTP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
DOT LabelPoison
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Exposure to this compound may cause eye and skin irritation. Absorption into the body leads to the formation of methemoglobin which in sufficient concentration causes cyanosis.
Hazards Summary
An irritant; May induce methemoglobinemia; [NTP] May cause irritation; May induce methemoglobinemia; Toxic by ingestion; Harmful by inhalation and skin absorption; [Sigma-Aldrich MSDS] See Pentachloronitrobenzene and 2,3,4,5-Tetrachloronitrobenzene.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile2,4,5-TRICHLORONITROBENZENE is incompatible with strong bases and strong oxidizing agents. (NTP, 1992).
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzene, 1,2,4-trichloro-5-nitro-: ACTIVE
Anwendungen
Verwenden2,4,5-Trichloronitrobenzene, is one of the by-products of Lindane (L465990) production, that can be used for agricultural crop protection. It is also used as an intermediate for the synthesis of various chemical compounds, such as a new class of 1H-benzimidazolecarboxamidines, acting as antibacterial and antifungal agents.
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