3,4,5-Trichloronitrobenzene (HCID 88365)

Überblick

3,4,5-trichloronitrobenzene appears as pale-yellow crystals or yellow crystalline solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name: 3,4,5-Trichloronitrobenzene
IUPAC: 1,2,3-trichloro-5-nitrobenzene
Lokaler Name: 1,2,3-Trichlor-5-nitrobenzol
Englischer Name: 3,4,5-Trichloronitrobenzene
Summenformel: C6H2Cl3NO2
Molmasse: 226.44

Namen und Synonyme

3,4,5-Trichloronitrobenzene1,2,3-Trichloro-5-nitrobenzene20098-48-0Benzene, 1,2,3-trichloro-5-nitro-DTXSID50262053,4,5-trichloro-1-nitrobenzeneEINECS 243-511-6UNII-AH0CU8672KAH0CU8672KNSC-523881DTXCID006205NSC 523881

Weitere Namen anzeigen

Anagrelide Impurity 113,4,5-Trichlornitrobenzol3,4,5-DICHLORONITROBENZENE1,2,3-TRICHLORO-5-NITROBENZNE5-NITRO-1,2,3-TRICHLOROBENZENEBenzene,1,2,3-trichloro-5-nitro-1,2,3-Trichloro-5-nitrobenzene,98%

TRICHLORONITROBENZENE, 3,4,5-RefChem:90910BENZENE, 1,2,3-TRICHLORO-5-NITROHHLCSFGOTLUREE-UHFFFAOYSA-NInChI=1/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2MFCD00061096Anagrelide Impurity 151,2,3-trichloro-5-nitro-benzene

Datenbank-Bezeichner

CAS: 20098-48-0
PubChem CID: 88365
DTXSID: DTXSID5026205
ChEMBL: CHEMBL1443813
UNII: AH0CU8672K
EC Number: 243-511-6
Nikkaji: J141.356B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 172

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCrystal structure

Density1.807 (NTP, 1992) - Denser than water; will sink

Solubilityless than 1 mg/mL at 59 °F (NTP, 1992)

Melting Point162.5 °F (NTP, 1992)

Physical Description3,4,5-trichloronitrobenzene appears as pale-yellow crystals or yellow crystalline solid. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt: 68 · 68-71 °C (lit.)
Siedepunkt: 288 °C · 288°C (rough estimate)
Dichte: 1.807 · 1.8070
Brechungsindex: 1.63 · 1.6300 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale Orange
Wasserlöslichkeit: 0.1 g/100 · <0.1 g/100 mL at 15 ºC
BRN: 2505480 · 2505480
InChI: InChI=1S/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey: HHLCSFGOTLUREE-UHFFFAOYSA-N
SMILES: C1(Cl)=CC([N+]([O-])=O)=CC(Cl)=C1Cl
CAS Datenbank: 20098 · 20098-48-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1,2,3-trichloro-5-nitro-(20098-48-0)
EPA chemische Informationen: 1 · Benzene, 1,2,3-trichloro-5-nitro- (20098-48-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 44.6% (37 of 83) of reports.

Warning

H302 (54.2%): 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 83 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

DOT LabelPoison

Fire HazardsFlash point data for this compound are not available; however, it is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: Exposure to this type of compound may cause eye and skin irritation. Absorption into the body leads to formation of methemoglobin which in sufficient concentration causes cyanosis.

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Reactivity ProfileThis type of compound is incompatible with strong bases and strong oxidizing agents. (NTP, 1992).

Air and Water ReactionsInsoluble in water.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with 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 you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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) · 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)