Chloropentafluorobenzene

HCID 9579CAS 344-07-0

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Grundinformationen

Standard-SMILES: Fc1c(F)c(F)c(Cl)c(F)c1F
InChIKey: KGCDGLXSBHJAHZ-UHFFFAOYSA-N
Summenformel: C6ClF5
Durchschnittliche Molmasse: 202,51 g/mol
Monoisotopische Masse: 201,9608685

Namen und Bezeichner

Bevorzugter Name: Chloropentafluorobenzene
IUPAC: 1-chloro-2,3,4,5,6-pentafluorobenzene
Englischer Name: Chloropentafluorobenzene
Summenformel: C6ClF5
Molmasse: 202.51

Namen und Synonyme

CHLOROPENTAFLUOROBENZENE344-07-0PentafluorochlorobenzeneBenzene, chloropentafluoro-Pentafluorophenyl chloride3D8A2YE2U8NSC-96886DTXSID4059837Benzene, 1-chloro-2,3,4,5,6-pentafluoro-RefChem:125467DTXCID4038841206-450-6

Weitere Namen anzeigen

oropentafLChloropentafluorobenChlorpentafluorbenzolpentaflurobenzoic acidPentafluorochlorobenzolchloropentafluoro-benzen

1-Chloro-2,3,4,5,6-pentafluorobenzeneChloroperfluorobenzeneC6ClF5MFCD000005341-chloro-2,3,4,5,6-pentafluoro-benzenepentafluorophenylchloride1,2,3,4,5-Pentafluoro-6-chlorobenzeneUNII-3D8A2YE2U8

Datenbank-Bezeichner

CAS: 344-07-0
PubChem CID: 9579
DTXSID: DTXSID4059837
UNII: 3D8A2YE2U8
EC Number: 206-450-6
Nikkaji: J95.789E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 150

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index748

Physikochemische Eigenschaften

Schmelzpunkt: -15.66 °C · -15.66°C
Siedepunkt: 122 · 122-123 °C/750 mmHg (lit.)
Dichte: 1.568 g/mL · 1.568 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.424(lit.)
Flammpunkt: 116 · 116-118°C
storage temp.: Refrigerator
Aggregatzustand: Liquid
Farbe: Clear colorless
Wichte: 1.651 · 1.651.568
BRN: 1819389 · 1819389
InChI: InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey: KGCDGLXSBHJAHZ-UHFFFAOYSA-N
SMILES: C1(Cl)=C(F)C(F)=C(F)C(F)=C1F
CAS Datenbank: 344 · 344-07-0(CAS DataBase Reference)
EPA chemische Informationen: Benzene, chloropentafluoro- (344-07-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)；Eye Irrit. 2 (95.2%)；STOT SE 3 (95.2%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29039990
RTECS-Nr.: CZ1225500
risk_code: 20-36/37/38
Toxizität: dns-rat:lvr 10 mg/L NTIS** AD-A165-849
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 23-24/25-26
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Inhalation

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-chloro-2,3,4,5,6-pentafluoro-: INACTIVE

Anwendungen · 1 Eintrag

VerwendenChloropentafluorobenzene has been used in the preparation of:1,2-difluoro-1,2-bis-(pentafluorophenyl)dichlorane via fluorination with elemental fluorine at 128°C5-chloro-1-(difluorochloro)-2,3,4,5,6,6-hexafluoro-1,3-cyclohexadiene via reaction with chlorine trifluoride at 78°C