4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol

HCID 11172116

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Grundinformationen

CAS: 83282-91-1
Standard-SMILES: COCc1c(F)c(F)c(CO)c(F)c1F
InChIKey: YFHZSPDQKWFAPH-UHFFFAOYSA-N
Summenformel: C9H8F4O2
Durchschnittliche Molmasse: 224,15 g/mol
Monoisotopische Masse: 224,04604214

Namen und Bezeichner

Bevorzugter Name: 4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol
IUPAC: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol
Englischer Name: 4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol
Summenformel: C9H8F4O2
Molmasse: 224.15

Namen und Synonyme

83282-91-14-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcoholRefChem:524784846-804-2(2,3,5,6-Tetrafluoro-4-(methoxymethyl)phenyl)methanol[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol4-Methoxymethyl-2,3,5,6-tetrafluorobenzenemethanol2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcoholMFCD086880602,3,5,6-Tetrafluoro-4-(methoxymethyl)-benzenemethanol; 2,3,5,6-Tetrafluoro-4-(methoxymethyl)benzyl Alcohol4-Methoxy-2Benzenemethanol, 2,3,5,6-tetrafluoro-4-(methoxymethyl)-

Weitere Namen anzeigen

4-MethoxymetTetrafluoromethoxybenzylalcohol(2,3,5,6-Tetrafluoro-4-(methoxymethyl)Tetrafluoro methoxymethyl benzyl alcohol4-Methoxymethyl-2,3,5,6-Tetrafluorobenzyl4-Methoxymethyl-2,3,5,6-Tetrafluorobenzene2,3,5,6-Tetrafluoro-4-methoxybenzyl alcohol4-Methoxmethy-2，3，5，6tetratlucroberzenemethanc

6-tetrafluorobenzyl alcoholSCHEMBL359266SCHEMBL1900289DTXSID90457625SBB063325AKOS015852458AC-8278AS-11390

Datenbank-Bezeichner

CAS: 83282-91-1
PubChem CID: 11172116
DTXSID: DTXSID90457625
EC Number: 846-804-2
Nikkaji: J1.797.221I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Schmelzpunkt: 51 · 51-53°C
Siedepunkt: 214 · 214 ºC
Dichte: 1.407 · 1.407
Flammpunkt: 107 · 107 ºC
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Solid
pka: 12.85 · 12.85±0.10(Predicted)
Farbe: White
InChI: InChI=1S/C9H8F4O2/c1-15-3-5-8(12)6(10)4(2-14)7(11)9(5)13/h14H,2-3H2,1H3
InChIKey: YFHZSPDQKWFAPH-UHFFFAOYSA-N
SMILES: C1(CO)=C(F)C(F)=C(COC)C(F)=C1F
CAS Datenbank: 83282 · 83282-91-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 (50%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2906290090
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl Alcohol is used as a reagent in the synthesis of Metofluthrin; a potent new synthetic pyrethroid with high vapor activity against mosquitos.