2,4-Dichlor-α,α,α-trifluortoluol

2,4-Dichlorobenzotrifluoride

HCID 9443CAS 320-60-5

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Grundinformationen

Standard-SMILES: FC(F)(F)c1ccc(Cl)cc1Cl
InChIKey: KALSHRGEFLVFHE-UHFFFAOYSA-N
Summenformel: C7H3Cl2F3
Durchschnittliche Molmasse: 215 g/mol
Monoisotopische Masse: 213,95639012

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichlorobenzotrifluoride
IUPAC: 2,4-dichloro-1-(trifluoromethyl)benzene
Lokaler Name: 2,4-Dichlor-α,α,α-trifluortoluol
Englischer Name: 2,4-Dichlorobenzotrifluoride
Summenformel: C7H3Cl2F3
Molmasse: 215

Namen und Synonyme

2,4-Dichlorobenzotrifluoride2,4-Dichloro-1-(trifluoromethyl)benzene320-60-5Benzene, 2,4-dichloro-1-(trifluoromethyl)-1,3-Dichloro-4-(trifluoromethyl)benzene2,4-Dichloro-alpha,alpha,alpha-trifluorotolueneDTXSID0047959MFCD000005822,4-dichloro-1-trifluoromethyl-benzene18V6ZM0FJTEINECS 206-278-1UNII-18V6ZM0FJT

Weitere Namen anzeigen

2,4-DCBTF1,3-DICHLORO-4-2,4-DichlorobenzotriSorafenib Impurity 1404-Dichlorobenzotrifluoride2,4-Dichlorbenzotrifluorid2,4-dichloro-trifluoroMethyl2,4-Dichlorobenzotrifluoride98%

2,4-DICHLORO(TRIFLUOROMETHYL)BENZENE1,3-Dichloro-4-(trifluoromethyl)benzene; 2,4-Dichloro(trifluoromethyl)benzene; 2,4-Dichloro-1-(trifluoromethyl)benzene; 2,4-Dichloro-?,?,?-trifluorotoluene; 2,4-Dichloro-?,?,?-trifluorotoluene; 2,4-Dichloro-1-(trifluoromethyl)benzene2,4-dichloro-a,a,a-trifluorotolueneEC 206-278-1SCHEMBL107751SCHEMBL753312Toluene, 2,4-dichloro-alpha,alpha,alpha-trifluoro-CHEMBL3185099

Datenbank-Bezeichner

CAS: 320-60-5
PubChem CID: 9443
DTXSID: DTXSID0047959
ChEMBL: CHEMBL3185099
UNII: 18V6ZM0FJT
EC Number: 206-278-1
Nikkaji: J31.771C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 157

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure1.11 [mmHg]

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -26 °C · -26°C
Siedepunkt: 117 · 117-118 °C (lit.)
Dichte: 1.484 g/mL · 1.484 g/mL at 25 °C (lit.)
Dampfdruck: 1.48 hPa · 1.48hPa at 25℃
Brechungsindex: 20 · n20/D 1.481(lit.)
Flammpunkt: 162 °F · 162 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Sparingly), DMSO (Slightly)
Aggregatzustand: Liquid
Wichte: 1.484 · 1.484
Farbe: Clear colorless
Wasserlöslichkeit: 8.67 mg/L · 8.67mg/L at 25℃
BRN: 2098743 · 2098743
InChI: 1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKey: KALSHRGEFLVFHE-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(Cl)cc1Cl
LogP: 4.24 · 4.24
CAS Datenbank: 320 · 320-60-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzene, 2,4-dichloro-1-(trifluoromethyl)-(320-60-5)
EPA chemische Informationen: 2 · 2,4-Dichlorobenzotrifluoride (320-60-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzene, 2,4-dichloro-1-(trifluoromethyl)-

Status: Cease Manufacture Update: 29-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6737

Hazards Summary · 1 Eintrag

Causes somnolence, tremor, and dyspnea in oral lethal-dose studies of rats; Causes dermatitis in dermal lethal-dose studies of rabbits (lethal-dose > 10,000 mg/kg); [RTECS] An irritant; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (97.9%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29039990
RTECS-Nr.: CZ5566877
risk_code: 34
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Aquatic Chronic 4Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as an intermediate; [ECHA REACH Registrations]

General Manufacturing InformationBenzene, 2,4-dichloro-1-(trifluoromethyl)-: ACTIVE

Anwendungen

Verwenden2,4-Dichlorobenzotrifluoride (2,4-Dichloro-α,α,α-trifluorotoluene ) was one of the compounds present in Niagara River fish identified by gas-liquid chromatographic-mass spectrometry.