Grundinformationen
- Standard-SMILES
Clc1ccc(Cl)c(Cl)c1- InChIKey
PBKONEOXTCPAFI-UHFFFAOYSA-N- Summenformel
- C6H3Cl3
- Durchschnittliche Molmasse
- 181,4 g/mol
- Monoisotopische Masse
- 179,930033
Namen und Bezeichner
- Bevorzugter Name
- 1,2,4-Trichlorobenzene
- IUPAC
- 1,2,4-trichlorobenzene
- Lokaler Name
- 1,2,4-Trichlorbenzol
- Englischer Name
- 1,2,4-Trichlorobenzene
- Summenformel
- C6H3Cl3
- Molmasse
- 181.45
Namen und Synonyme
1,2,4-trichlorobenzene120-82-1Benzene, 1,2,4-trichloro-unsym-TrichlorobenzeneHostetex L-pecTrojchlorobenzen1,2,4-Trichlorbenzol1,2,4-Trichlorobenzol1,2,5-Trichlorobenzene1,3,4-Trichlorobenzeneas-trichlorobenzeneTrichlorobenzene A
Weitere Namen anzeigen
TRICHLOROBENZENE124-,,1,2,4-TRICHLOROBENZENE SINGLE COMPONENT STANDARD FOR EPA124TCB1.2.4-Tric1,2,4TrichLHipochem GMhostetexl-pec
DTXSID0021965AI3-0777505IQ959M1NNSC-406697DTXCID701965CHEBI:28222RefChem:411007204-428-0
Datenbank-Bezeichner
- CAS
120-82-1、63697-18-7- PubChem CID
- 13
- DTXSID
DTXSID0021965- ChEMBL
CHEMBL296348- ChEBI
CHEBI:28222- UNII
- 05IQ959M1N
- EC Number
- 204-428-0
- Nikkaji
- J2.482A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 94
Physikochemische Eigenschaften
- Schmelzpunkt
- 16 °C · 16 °C(lit.)
- Siedepunkt
- 214 °C · 214 °C(lit.)
- Dichte
- 1.454 g/mL · 1.454 g/mL at 25 °C(lit.)
- Dampfdichte
- 6 · >6 (vs air)
- Dampfdruck
- 1 mm · 1 mm Hg ( 40 °C)
- Brechungsindex
- 20 · n20/D 1.571(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- water: insoluble
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Geruch (Odor)
- Characteristic aromatic odor
- Explosionsgrenze
- 6.6 %, · 6.6%, 150°F
- Wasserlöslichkeit
- INSOLUBLE
- Merck
- 14 · 14,9631
- BRN
- 956819 · 956819
- Henry's Law Constant
- 0.997 at · 0.997 at 20.0 °C (wetted-wall column, ten Hulscher et al., 1992) 1.24, 2.27, 2.58, 3.06, and 3.90 at 2.0, 6.0, 10.0, 18.0, and 25.0 °C, respectively (EPICS-SPME, Dewulf et al., 1999)
- Dielectric constant
- 2.24 · 2.2400000000000002
- Stabilität
- Stable. Incompatible with strong oxidizing agents. Combustible.
- InChI
- 1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
- InChIKey
- PBKONEOXTCPAFI-UHFFFAOYSA-N
- SMILES
- Clc1ccc(Cl)c(Cl)c1
- LogP
- 4.28 · 4.28
- CAS Datenbank
- 120 · 120-82-1(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1,2,4-trichloro-(120-82-1)
- EPA chemische Informationen
- 1 · 1,2,4-Trichlorobenzene (120-82-1)
Sicherheit und Regulatorisches
Sicherheitsdaten
- OEL
- Ceiling: 5 ppm (40 mg/m3)
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2321 6.1/PG 3
- hs_code
- 29036990
- RTECS-Nr.
- DC2100000
- risk_code
- 22-38-50/53-52/53-39/23/24/25-23/24/25-11-51/53
- Toxizität
- LD50 orally in Rabbit: 550 mg/kg LD50 dermal Rat 6139 mg/kg
- hazard_code
- Xn,N,Xi,T,F
- hazard_note
- Irritant
- safety_code
- 23-37/39-60-61-45-36/37-16-7
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Giftige Stoffe Daten
- 120-82-1(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
- Selbstentzündungstemperatur
- 571 °C
Chemie und Industrie
Anwendungen
BeschreibungTrichlorobenzenes (TCBs) are synthetic chemicals that occur in three different isomeric forms. The three chlorinated cyclic aromatic isomers are 1,2,3-trichlorobenzene (1,2,3-TCB), 1,2,4-trichlorobenzene (1,2,4-TCB), and 1,3,5-trichlorobenzene (1,3,5-TCB). 1,2,4-TCB is one of the 188 chemicals designated as a hazardous air pollutant under the Clean Air Act.
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Ergänzende Hinweise
DefinitionChEBI: 1,2,4-trichlorobenzene is a trichlorobenzene with chloro substituents at positions 1, 2 and 4. It is a solvent in various organic chemical reactions.
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