3-Fluorocatechol

HCID 67764CAS 363-52-0
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Grundinformationen

Standard-SMILES
Oc1cccc(F)c1O
InChIKey
DXOSJQLIRGXWCF-UHFFFAOYSA-N
Summenformel
C6H5FO2
Durchschnittliche Molmasse
128,1 g/mol
Monoisotopische Masse
128,02735756

Namen und Bezeichner

Bevorzugter Name
3-Fluorocatechol
IUPAC
3-fluorobenzene-1,2-diol
Englischer Name
3-FLUOROCATECHOL
Summenformel
C6H5FO2
Molmasse
128.1

Namen und Synonyme

3-Fluorocatechol363-52-03-Fluorobenzene-1,2-diol1,2-Benzenediol, 3-fluoro-3-Fluoro-1,2-dihydroxybenzene3-Fluoro-1,2-benzenediolPyrocatechol, 3-fluoro-1,2-Dihydroxy-3-fluoroBenzeneCHEBI:39876DTXSID50189839RefChem:501960DTXCID60112330
Weitere Namen anzeigen
3-Fluorocatechol>3-Fluorocatechol,99%3-Fluorocatechol 99%Guaiacol Impurity 453-FLUOROCATECHOL 98+%3-Fluorobenznen-1,2-diol3-Fluoro-2-hydroxy-phenol
609-233-8MFCD000425821-Fluoro-2,3-dihydroxybenzene3-fluoro-benzene-1,2-diolCL8492CS-W0074823FASY028999

Datenbank-Bezeichner

CAS
363-52-0
PubChem CID
67764
DTXSID
DTXSID50189839
ChEMBL
CHEMBL1230120
ChEBI
CHEBI:39876
EC Number
609-233-8
Nikkaji
J100.369K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
40,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
9

Physikochemische Eigenschaften

Schmelzpunkt
71 · 71-73 °C (lit.)
Siedepunkt
218.4 · 218.4±20.0 °C(Predicted)
Dichte
1.514 · 1.5140
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
pka
8.54 · 8.54±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (84.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (10.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (84.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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

Regulatory InformationChemical: 1,2-Benzenediol, 3-fluoro-
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Acute Tox. 4 (84.8%)；Skin Corr. 1B (100%)；Skin Sens. 1 (10.9%)；Eye Dam. 1 (87%)；Acute Tox. 4 (84.8%)

Regulatorische Informationen

Regulatory InformationChemical: 1,2-Benzenediol, 3-fluoro-

Sicherheitsdaten

wgk
3
ridadr
UN 3261 8/PG 2
hs_code
29081990
risk_code
20/21/22-34
hazard_code
C,Xi
hazard_note
Corrosive

Chemie und Industrie

Anwendungen

Verwenden3-Fluorocatechol is a fluorinated catechol used in the preparation of synthetic humic acid as well as an intermediate in the preparation of 3-fluoroveratrole.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

Ergänzende Hinweise

DefinitionChEBI: A catechol bearing an additional fluoro substituent at position 3.

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