5-Ethynyl-1,2,3-trifluorobenzene

HCID 22709071

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Grundinformationen

CAS: 158816-55-8
Standard-SMILES: C#Cc1cc(F)c(F)c(F)c1
InChIKey: BZXWRVPVZZZAKB-UHFFFAOYSA-N
Summenformel: C8H3F3
Durchschnittliche Molmasse: 156,1 g/mol
Monoisotopische Masse: 156,01868476

Namen und Bezeichner

Bevorzugter Name: 5-Ethynyl-1,2,3-trifluorobenzene
IUPAC: 5-ethynyl-1,2,3-trifluorobenzene
Englischer Name: 3,4,5-Trifluorophenylacetylene
Summenformel: C8H3F3
Molmasse: 156.1

Namen und Synonyme

5-ethynyl-1,2,3-trifluorobenzene158816-55-8DTXSID40627654RefChem:303037DTXCID10578407692-023-33,4,5-TrifluorophenylacetyleneMFCD08458177C8H3F3SCHEMBL27826973,4,5-Trifluorophenyl acetyleneBZXWRVPVZZZAKB-UHFFFAOYSA-N

Weitere Namen anzeigen

3,4,5-Trifluorophenylacetylen5-ETHYNYL-1,2,3-TRIFLUORO-BENZENEBenzene, 5-ethynyl-1,2,3-trifluoro-5-Ethynyl-1,2,3-trifluorobenzene >Benzene, 5-ethynyl-1,2,3-trifluoro- (9CI)

SBB087116AKOS010651472PS-8851SY0310833,4,5-trifluorophenylacetylene, AldrichCPRCS-0059693W17680EN300-1847503

Datenbank-Bezeichner

CAS: 158816-55-8
PubChem CID: 22709071
DTXSID: DTXSID40627654
EC Number: 692-023-3
Nikkaji: J3.539.687J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Siedepunkt: 53 · 53-54/1mm
Dichte: 1.27 · 1.27±0.1 g/cm3(Predicted)
Brechungsindex: 1.472 to · 1.4720 to 1.4760
storage temp.: Store at room temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
InChI: InChI=1S/C8H3F3/c1-2-5-3-6(9)8(11)7(10)4-5/h1,3-4H
InChIKey: BZXWRVPVZZZAKB-UHFFFAOYSA-N
SMILES: C1(F)=CC(C#C)=CC(F)=C1F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)

Sicherheitsdaten

wgk: WGK 3
ridadr: UN 1993 3/PG III
hs_code: 2903998090
risk_code: 25
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 45
hazard_class: 3
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral