CAS 302912-34-1 1-Ethynyl-2,4-difluorobenzene (HCID 5063820)

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Grundinformationen

CAS: 302912-34-1
Standard-SMILES: C#Cc1ccc(F)cc1F
InChIKey: HRUJQXRGWQWYDH-UHFFFAOYSA-N
Summenformel: C8H4F2
Durchschnittliche Molmasse: 138,11 g/mol
Monoisotopische Masse: 138,02810645

Namen und Bezeichner

Bevorzugter Name: 1-Ethynyl-2,4-difluorobenzene
IUPAC: 1-ethynyl-2,4-difluorobenzene
Englischer Name: 1-Ethynyl-2.4-difluorobenzene 97
Summenformel: C8H4F2
Molmasse: 138.11

Namen und Synonyme

1-Ethynyl-2,4-difluorobenzene302912-34-1DTXSID40407953RefChem:75786DTXCID90358805629-222-1Benzene, 1-ethynyl-2,4-difluoro-2,4-DifluorophenylacetyleneMFCD020937261-ethynyl-2,4-difluoro-benzene8FS1ethynyl-2,4-difluorobenzene

Weitere Namen anzeigen

1-Ethynyl-2.4-difluorobenzene 971-Ethynyl-2,4-difluorobenzene 97%Benzene, 1-ethynyl-2,4-difluoro- (9CI)

SCHEMBL434666SCHEMBL2764279SCHEMBL30111761AKOS0106515801-Ethynyl-2,4-difluorobenzene, 97%BS-42516DA-29386SY052819

Datenbank-Bezeichner

CAS: 302912-34-1
PubChem CID: 5063820
DTXSID: DTXSID40407953
EC Number: 629-222-1
Nikkaji: J2.119.270H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Schmelzpunkt: 29 · 29-32 °C (lit.)
Siedepunkt: 134.7 · 134.7±30.0 °C(Predicted)
Dichte: 1.17 · 1.17±0.1 g/cm3(Predicted)
Flammpunkt: 92 °F · 92 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to lump to clear liquid
Farbe: White or Colorless to Yellow to Orange
InChI: 1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
InChIKey: HRUJQXRGWQWYDH-UHFFFAOYSA-N
SMILES: Fc1ccc(C#C)c(F)c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 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 CategoriesFlam. Sol. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1325 4.1/PG 3
hs_code: 2903.99.8001
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36
hazard_class: FLAMMABLE
packing_group: III
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Ethynyl-2,4-difluorobenzene (CM) may be used to synthesize sulfonatedpoly(aryleneether)s containing CM and TFP [4-[Trifluorovinyl(oxy)]phenol]. It may also be employed for the preparation of 4-(2,4-difluorophenylethynyl)-3-methyl-5-phenylisoxazole.