3-Fluoranilin

3-Fluoroaniline

HCID 9742CAS 372-19-0
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Grundinformationen

Standard-SMILES
Nc1cccc(F)c1
InChIKey
QZVQQUVWFIZUBQ-UHFFFAOYSA-N
Summenformel
C6H6FN
Durchschnittliche Molmasse
111,12 g/mol
Monoisotopische Masse
111,04842741

Überblick

3-fluoroaniline is a derivative of aniline in which the hydrogen at position 3 has been substituted by fluorine. It is used as a pharmaceutical intermediate. It is a fluoroaniline and a primary arylamine.

Namen und Bezeichner

Bevorzugter Name
3-Fluoroaniline
IUPAC
3-fluoroaniline
Lokaler Name
3-Fluoranilin
Englischer Name
3-Fluoroaniline
Summenformel
C6H6FN
Molmasse
111.12

Namen und Synonyme

3-FLUOROANILINE372-19-0m-FluoroanilineBenzenamine, 3-fluoro-3-FluoranilinTLL4X88AZPNSC-10300CHEBI:27873DTXSID10190683RefChem:93943DTXCID50113174206-747-0
Weitere Namen anzeigen
NSC 10300AKOS 911543-fluoro-anilin
1-Amino-3-fluorobenzene3-FluorobenzenamineAniline, 3-fluoro-Aniline, m-fluoro-3-Fluoro-phenylamine3-fluorophenylaminem-fluorophenylaminem-aminofluorobenzene

Datenbank-Bezeichner

CAS
372-19-0
PubChem CID
9742
DTXSID
DTXSID10190683
ChEMBL
CHEMBL58888
ChEBI
CHEBI:27873
UNII
TLL4X88AZP
EC Number
206-747-0
Nikkaji
J55.227E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
26 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.3

Physikochemische Eigenschaften

Schmelzpunkt
-2 °C · -2°C
Siedepunkt
186 °C756 · 186 °C756 mm Hg(lit.)
Dichte
1.156 g/mL · 1.156 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.542(lit.)
Flammpunkt
171 °F · 171 °F
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (11.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information3-Fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (11.8%)

Sicherheitsdaten

wgk
3
ridadr
UN 2941 6.1/PG 3
hs_code
29214210
RTECS-Nr.
BY1400000
risk_code
22-37/38-41-36/38-33-23/24/25
hazard_code
Xn,T,Xi

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Fluoroaniline is used in the preparation of acetic acid-(3-fluoro-anilide by reacting with acetic acid anhydride. Further, it serves as a reagent in the preparation of radamide analogs as Grp94 inhibitors, which has potential to be antitumor agents.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A derivative of aniline in which the hydrogen at position 3 has been substituted by fluorine. It is used as a pharmaceutical intermediate.

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