2-Fluoro-3-(trifluoromethyl)phenol

HCID 2737586CAS 207291-85-8

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Grundinformationen

Standard-SMILES: Oc1cccc(C(F)(F)F)c1F
InChIKey: DOICLFHNNMXINV-UHFFFAOYSA-N
Summenformel: C7H4F4O
Durchschnittliche Molmasse: 180,1 g/mol
Monoisotopische Masse: 180,0198274

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-3-(trifluoromethyl)phenol
IUPAC: 2-fluoro-3-(trifluoromethyl)phenol
Englischer Name: 2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL
Summenformel: C7H4F4O
Molmasse: 180.1

Namen und Synonyme

2-Fluoro-3-(trifluoromethyl)phenol207291-85-8DTXSID60372159RefChem:87055DTXCID70323192623-667-5DOICLFHNNMXINV-UHFFFAOYSA-NPhenol, 2-fluoro-3-(trifluoromethyl)-MFCD000835542-Fluoro-3-hydroxybenzotrifluorideA814840SCHEMBL1125329

Weitere Namen anzeigen

Fluorotrifluoromethylphenol2-Fluoro-3-(trifluoromethyl)phenol98%2-Fluoro-3-(trifluoromethyl)phenol 98%2-Fluoro-3-hydroxybenzotrifluoride 98%2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL ISO 9001：2015 REACH3-fluoro-2-(trifluoromethyl)-4-pyridinecarboxylic acid2-Fluoro-3-(trifluoromethyl)phenol, alpha,alpha,alpha,2-Tetrafluoro-m-cresol

SCHEMBL20516522-fluoro-3-trifluoromethylphenol2-fluoro-3-(trifluoromethyl)-phenolSBB089620AKOS006220720PS-11658SY0624272-Fluoro-3-(trifluoromethyl)phenol, 97%

Datenbank-Bezeichner

CAS: 207291-85-8
PubChem CID: 2737586
DTXSID: DTXSID60372159
EC Number: 623-667-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 156

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index954.8

Physikochemische Eigenschaften

Siedepunkt: 122 °C · 122 °C (lit.)
Dichte: 1.431 g/mL · 1.431 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.443(lit.)
Flammpunkt: 143 °F · 143 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: low melting solid / liquid
pka: 7.704 · 7.704±0.10(predicted)
Farbe: Clear, colourless
InChI: 1S/C7H4F4O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
InChIKey: DOICLFHNNMXINV-UHFFFAOYSA-N
SMILES: Oc1cccc(c1F)C(F)(F)F
CAS Datenbank: 207291 · 207291-85-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (97.6%)；Acute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.6%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2908190090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T
safety_code: 26-36
hazard_class: TOXIC
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3