4-Fluoro-3-methylphenol

HCID 2737394CAS 452-70-0

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Grundinformationen

Standard-SMILES: Cc1cc(O)ccc1F
InChIKey: RVYGYYVGWSCWGY-UHFFFAOYSA-N
Summenformel: C7H7FO
Durchschnittliche Molmasse: 126,13 g/mol
Monoisotopische Masse: 126,04809306

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-3-methylphenol
IUPAC: 4-fluoro-3-methylphenol
Englischer Name: 4-Fluoro-3-methylphenol
Summenformel: C7H7FO
Molmasse: 126.13

Namen und Synonyme

4-Fluoro-3-methylphenol452-70-0DTXSID40372036RefChem:98982DTXCID00323069610-234-04-Fluoro-m-cresol3-METHYL-4-FLUOROPHENOL4-fluoro-3-methyl-phenolPhenol, 4-fluoro-3-methyl-MFCD000422964-fluoro-3-methyl phenol

Weitere Namen anzeigen

Fluoromethylphenol44-Fluoro-m-cresol>4-Fluoro-3-methylphePhenol,4-fluoro-3-Methyl-4-Fluoro-3-methylphenol98%4-Fluoro-3-methylphenol 98%2-Fluoro-5-hydroxytoluene, 4-Fluoro-m-cresol

SCHEMBL230046AKOS005255595PS-9178SY019177Z10213053303-Methyl-4-flluorophenolA1707FT-0618485

Datenbank-Bezeichner

CAS: 452-70-0
PubChem CID: 2737394
DTXSID: DTXSID40372036
EC Number: 610-234-0
Nikkaji: J710.505C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94,9

Physikochemische Eigenschaften

Schmelzpunkt: 32 °C · 32 °C (lit.)
Siedepunkt: 76 °C/5 · 76 °C/5 mmHg (lit.)
Dichte: 1.134 g/mL · 1.134 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.515(lit.)
Flammpunkt: 206 °F · 206 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 10.09 · 10.09±0.18(Predicted)
Aggregatzustand: Liquid
Wichte: 1.134 · 1.134
Farbe: Clear colorless to pale yellow
InChI: InChI=1S/C7H7FO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey: RVYGYYVGWSCWGY-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C(C)=C1
CAS Datenbank: 452 · 452-70-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (17.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (17.6%)

Sicherheitsdaten

wgk: 3
ridadr: 1759
hs_code: 29081990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
hazard_class: 8
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Fluoro-3-methylphenol was used to detect the aromatic metabolites in methanogenic m-cresol-degrading consortium. It was also used in the preparation of 8-fluoronaphthoquinone via Friedel Crafts acylation reaction with maleic anhydride.