2-Fluoro-4-iodoaniline

HCID 185694CAS 29632-74-4

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Grundinformationen

Standard-SMILES: Nc1ccc(I)cc1F
InChIKey: CUMTUBVTKOYYOU-UHFFFAOYSA-N
Summenformel: C6H5FIN
Durchschnittliche Molmasse: 237,01 g/mol
Monoisotopische Masse: 236,94507538

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-iodoaniline
IUPAC: 2-fluoro-4-iodoaniline
Englischer Name: 2-Fluoro-4-iodoaniline
Summenformel: C6H5FIN
Molmasse: 237.01

Namen und Synonyme

2-Fluoro-4-iodoaniline29632-74-4Benzenamine, 2-fluoro-4-iodo-NSC-146507UT398XXP8YDTXSID50952101RefChem:472360DTXCID801380201608-384-72-Fluoro-4-iodo-phenylamineMFCD000117382-fluoro-4-iodobenzenamine

Weitere Namen anzeigen

uoro-4-iodoaniL2-Fluor-4-Iodanilin2-fluo-4-iodoaniline2-Fluoro-4-iodoanili2-fluro-4-iodoaniline2-Fluoro-4-idioaniline4-iodo-o-fluoroaniline2-FLORO 4-IODO ANILINE

4-iodo-2-fluoroaniline2-fluoro-4-iodophenylamineTrametinib impurity 92-fluoro-4-iodaniline4-iodo-2-fluoro aniline2-fluoro-4-iodo-benzenamineCS-W002069F0417

Datenbank-Bezeichner

CAS: 29632-74-4
PubChem CID: 185694
DTXSID: DTXSID50952101
UNII: UT398XXP8Y
EC Number: 608-384-7
Nikkaji: J796.424B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,1

Physikochemische Eigenschaften

Schmelzpunkt: 55 · 55-57 °C (lit.)
Siedepunkt: 248.6 · 248.6±25.0 °C(Predicted)
Dichte: 2.008 · 2.008±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 2.41 · 2.41±0.10(Predicted)
Aggregatzustand: Powder
Farbe: Off-white to brown
Wasserlöslichkeit: insoluble
BRN: 2081100 · 2081100
InChIKey: CUMTUBVTKOYYOU-UHFFFAOYSA-N
LogP: 2.68 · 2.680 (est)
CAS Datenbank: 29632 · 29632-74-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

Sicherheitsdaten

wgk: 3
ridadr: PG3
hs_code: 29214200
risk_code: 36/37/38-20/21/22
hazard_code: Xi,T,Xn
hazard_note: Toxic
safety_code: 26-36-37/39-26/37/39
hazard_class: IRRITANT-HARMFUL, LIGHT SENSITIVE

Chemie und Industrie

Anwendungen

Verwenden2-Fluoro-4-iodoaniline is widely used in the pharmaceutical, chemical and food industries as a fundamental building block to create a variety of important compounds.