Grundinformationen
- Standard-SMILES
O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl- InChIKey
BGKIECJVXXHLDP-UHFFFAOYSA-N- Summenformel
- C6H2Cl3NO2
- Durchschnittliche Molmasse
- 226,4 g/mol
- Monoisotopische Masse
- 224,91511134
Überblick
2,3,4-trichloronitrobenzene appears as needles or light yellow fluffy solid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2,3,4-Trichloronitrobenzene
- IUPAC
- 1,2,3-trichloro-4-nitrobenzene
- Lokaler Name
- 4-Nitro-1,2,3-trichlorbenzol
- Englischer Name
- 2,3,4-TRICHLORONITROBENZENE
- Summenformel
- C6H2Cl3NO2
- Molmasse
- 226.44
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
17700-09-3、29595-61-7- PubChem CID
- 28697
- DTXSID
DTXSID0026202- ChEMBL
CHEMBL354330- UNII
- 339A4728AK
- EC Number
- 241-705-5、249-716-7
- Nikkaji
- J141.353H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- 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
Physical Description
2,3,4-trichloronitrobenzene appears as needles or light yellow fluffy solid. (NTP, 1992)
Light yellow solid; [NTP] Light yellow powder; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 53 · 53-56 °C(lit.)
- Siedepunkt
- 296.2 · 296.2±35.0 °C(Predicted)
- Dichte
- 1.7193 · 1.7193 (rough estimate)
- Brechungsindex
- 1.63 · 1.6300 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Green
- Wasserlöslichkeit
- 26.04 mg/L · 26.04mg/L(20 ºC)
- BRN
- 2211951 · 2211951
- Henry's Law Constant
- 1.1 · 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
- InChIKey
- BGKIECJVXXHLDP-UHFFFAOYSA-N
- SMILES
- C1(Cl)=CC=C([N+]([O-])=O)C(Cl)=C1Cl
- CAS Datenbank
- 17700 · 17700-09-3(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,2,3-Trichloro-4-nitrobenzene (17700-09-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 45.7% (37 of 81) of reports.
Warning
H302 (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.
Gefahrenhinweise
Sicherheit und Schutzausrüstung
First Aid
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
SMALL 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.
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)
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1578 6.1/PG 2
- hs_code
- 29049095
- RTECS-Nr.
- DA6612000
- risk_code
- 20/21/22-36/37/38
- Toxizität
- mic-sat 410 mLg/plate MUREAV 116,217,1983
- hazard_code
- Xn
- safety_code
- 26-37/39-36/37
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter2 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…