Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 28697Erstellt: 25. Oktober 2026

4-Nitro-1,2,3-trichlorbenzol

1,2,3-TRICHLORO-4-NITROBENZENE · TIMTEC-BB SBB009919 · Anagrelide Impurity 13 · 2,3,4-TRICHLORONITROBENZENE · 1,2,3-Trichloronitrobenzene · 2,3,4-Trichloroniteobenzene · 4-nitro-1,2,3-trichlorobenze · 4-Nitro-1,2,3-trichlorobenzene

https://huagongshe.com/de/chemical/28697

Molekülstruktur von 4-Nitro-1,2,3-trichlorbenzol

Identifikatoren & physikalische Daten

CAS No.17700-09-3
SummenformelC6H2Cl3NO2
Durchschnittliche Molmasse226,4 g/mol
Monoisotopische Masse224,91511134 g/mol
SMILESO=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl
InChIKeyBGKIECJVXXHLDP-UHFFFAOYSA-N
PubChem CID28697
ChEMBLCHEMBL354330
EC No.241-705-5
DTXSIDDTXSID0026202
Lokaler Name4-Nitro-1,2,3-trichlorbenzol

Chemische & physikalische Eigenschaften

XLogP3,6
Polarare Oberfläche (TPSA)45,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome12
Formalladung0
Komplexität184
StoffklassenNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP (Verteilungskoeffizient)3.54
Löslichkeitless than 1 mg/mL at 73 °F (NTP, 1992)26.04mg/L(20 ºC)
Schmelzpunkt131 to 133 °F (NTP, 1992)53-56 °C(lit.)
Dampfdruck0.000792 [mmHg]
Physical Description2,3,4-trichloronitrobenzene appears as needles or light yellow fluffy solid. (NTP, 1992)Light yellow solid[NTP] Light yellow powder[Sigma-Aldrich MSDS]
Siedepunkt296.2±35.0 °C(Predicted)
Dichte1.7193 (rough estimate)
Brechungsindex1.6300 (estimate)
Flammpunkt>230 °F
Lagerbedingungen2-8°C
Aggregatzustandpowder to crystal
FarbeWhite to Light yellow to Green
BRN2211951
Henry-Konstante1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChIInChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChIKeyBGKIECJVXXHLDP-UHFFFAOYSA-N
SMILESC1(Cl)=CC=C([N+]([O-])=O)C(Cl)=C1Cl
CAS Datenbank17700-09-3(CAS DataBase Reference)
EPA chemische Informationen1,2,3-Trichloro-4-nitrobenzene (17700-09-3)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 45.7% (37 of 81) of reports.WarningH302 (54.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 81 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
DOT-KennzeichnungPoison
BrandgefahrenFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
GesundheitsgefahrenExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
GefahrenübersichtA skin and eye irritantMay induce methemoglobinemiaReadily absorbed through skin[IUCLID] A skin and strong eye irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS]
Reaktive GruppeNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile2,3,4-TRICHLORONITROBENZENE is incompatible with strong bases and strong oxidizing agents.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (54.3%)
BrandbekämpfungFires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Unerwünschte WirkungenMethemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 1578 6.1/PG 2
Zollcode29049095
RTECS-Nr.DA6612000
R-Sätze (R)20/21/22-36/37/38
Toxizitätmic-sat 410 mLg/plate MUREAV 116,217,1983
GefahrensymboleXn
Sicherheitshinweise (S)26-37/39-36/37
Gefahrenklasse6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
VerpackungsgruppeIII
Lagerklasse6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials