2,4,5-Trichloronitrobenzene (HCID 6983)

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: 0YFY8PZD2M
EC Number: 201-931-7
Nikkaji: J2.838J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 45,8 Å²
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)

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-57 °C
Siedepunkt: 288 °C · 288 °C
Dichte: 1.79 · 1.79
Brechungsindex: 1.63 · 1.6300 (estimate)
Flammpunkt: 170 °C · 170 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
Farbe: 2 · Prisms from EtOH or CS2
Wasserlöslichkeit: 27 mg/L · 27 mg/L (20 ºC)
CAS Datenbank: 89 · 89-69-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1,2,4-trichloro-5-nitro-(89-69-0)
EPA chemische Informationen: 2 · 2,4,5-Trichloronitrobenzene (89-69-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 1 Eintrag

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

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 Eintrag

EYES: 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.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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)]:

Protective Action Criteria (PAC) · 3 Einträge

2.3 [mg/m3]

25 [mg/m3]

150 [mg/m3]

Personal Protective Equipment (PPE) · 1 Eintrag

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)

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Sicherheitsdaten

tsca: TSCA listed
ridadr: 3077
hs_code: 29392900
RTECS-Nr.: DC2275000
risk_code: 50/53-20/21/22
Toxizität: LDLo orl-mus: 1070 mg/kg AECTCV 14,111,85
hazard_code: N-Xn,N,Xn
hazard_note: Harmful
safety_code: 61-60-36/37-28-25
hazard_class: 6.1(b)
packing_group: III

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,2,4-trichloro-5-nitro-: ACTIVE

Anwendungen · 1 Eintrag

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.