CAS 62257-16-3 3-Amino-4-fluorophenol (HCID 13519180)

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Grundinformationen

CAS: 62257-16-3
Standard-SMILES: Nc1cc(O)ccc1F
InChIKey: VJCSFNNTQGRAKH-UHFFFAOYSA-N
Summenformel: C6H6FNO
Durchschnittliche Molmasse: 127,12 g/mol
Monoisotopische Masse: 127,04334203

Namen und Bezeichner

Bevorzugter Name: 3-Amino-4-fluorophenol
IUPAC: 3-amino-4-fluorophenol
Englischer Name: 3-Amino-4-fluorophenol
Summenformel: C6H6FNO
Molmasse: 127.12

Namen und Synonyme

3-Amino-4-fluorophenol62257-16-3DTXSID20542795RefChem:92899DTXCID70493581690-814-83-amino-4-fluoro-phenolMFCD09033850Phenol, 3-amino-4-fluoro-2-Fluoro-5-hydroxyanilineSCHEMBL533939SCHEMBL31065953

Weitere Namen anzeigen

Phenol,3-aMino-4-fluoro-3-Amino-4-fluorophenol 99%6004 3-AMINO-4-FLUORO PHENOL3-Amino-4-fluorophenol ISO 9001：2015 REACH

VJCSFNNTQGRAKH-UHFFFAOYSA-NAC-885SBB069836AKOS005063864CS-W007503FA42957PS-9171SY022950

Datenbank-Bezeichner

CAS: 62257-16-3
PubChem CID: 13519180
DTXSID: DTXSID20542795
EC Number: 690-814-8
Nikkaji: J3.350.435G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,1

Physikochemische Eigenschaften

Schmelzpunkt: 141 · 141-143 °C
Siedepunkt: 269.3 · 269.3±20.0 °C(Predicted)
Dichte: 1.347 · 1.347±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 10.03 · 10.03±0.18(Predicted)
Aggregatzustand: crystalline powder
Farbe: Light tan
InChI: InChI=1S/C6H6FNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2
InChIKey: VJCSFNNTQGRAKH-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C(N)=C1
CAS Datenbank: 62257 · 62257-16-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (85.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 21 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (90.5%)

Sicherheitsdaten

hs_code: 2922290090
risk_code: 22
hazard_code: Xn
hazard_note: Toxic

Chemie und Industrie

Anwendungen

Beschreibung3-amino-4-fluorophenol is a kind of organic chemistry intermediate commonly used as the intermediate for synthesizing compounds of liquid crystals, pharmaceutical compounds and agricultural chemical compounds used always.

Verwenden3-Amino-4-fluorophenol is used to produce drugs with specific biological activities, including antibiotics and anti-inflammatory agents.