Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-

HCID 157026

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Grundinformationen

CAS: 77227-81-7
Standard-SMILES: Fc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIKey: BWQFQKZDLBJZAW-UHFFFAOYSA-N
Summenformel: C7H2Cl2F4
Durchschnittliche Molmasse: 232,99 g/mol
Monoisotopische Masse: 231,9469683

Namen und Bezeichner

Bevorzugter Name: Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-
IUPAC: 1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene
Englischer Name: 3,5-Dichloro-4-fluorobenzotrifluoride
Summenformel: C7H2Cl2F4
Molmasse: 232.99

Namen und Synonyme

3,5-Dichloro-4-fluorobenzotrifluoride77227-81-7Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-DTXSID70227969RefChem:562285DTXCID70150460620-878-41,3-dichloro-2-fluoro-5-(trifluoromethyl)benzeneMFCD00068183SCHEMBL6688723,5-dichloro-4-flurobenzotriflouride1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene;1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene

Weitere Namen anzeigen

3,5-Dichloro-4-fluoronitrobezene3,5-dichloro-4- chlorobenzotrifluoride3,5-Dichloro-4-fluorobenzotrifluoride98%3,5-Dichloro-4-fluorobenzotrifluoride 98%2,6-Dichloro-4-trifluoromethylfluorobenzene3,5-DICHLORO-ALPHA,ALPHA,ALPHA-4-TETRAFLUOROTOLUENE3,5-dichloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene

1,3-dichloro-2-fluoro-5-(trifluSBB0980163,5-dichloro-4-fluorobenzotriflourideAKOS015888593AC-41323,5-dichloro-4-fluoro-benzotrifluorideSY0354023,5-Dichloro-4-fluorobenzotrifluoride, 98%

Datenbank-Bezeichner

CAS: 77227-81-7
PubChem CID: 157026
DTXSID: DTXSID70227969
EC Number: 620-878-4
Nikkaji: J1.591.143C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 170

Physikochemische Eigenschaften

Siedepunkt: 166 · 166-168 °C (lit.)
Dichte: 1.555 g/mL · 1.555 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.462(lit.)
Flammpunkt: 164 °F · 164 °F
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: liquid
Farbe: Clear
BRN: 6199573 · 6199573
InChI: 1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey: BWQFQKZDLBJZAW-UHFFFAOYSA-N
SMILES: Fc1c(Cl)cc(cc1Cl)C(F)(F)F
CAS Datenbank: 77227 · 77227-81-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationBenzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29039990
risk_code: 22-41
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1

Chemie und Industrie

Anwendungen

Verwenden3,5-Dichloro-4-fluorobenzotrifluoride may be used for the synthesis of 3-[4-[1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-5-iodopyrazolo]]-3-(trifluoromethyl)diazirine.