4-Fluorphenylisocyanat

4-Fluorophenyl isocyanate

HCID 70955CAS 1195-45-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C=Nc1ccc(F)cc1
InChIKey: DSVGFKBFFICWLZ-UHFFFAOYSA-N
Summenformel: C7H4FNO
Durchschnittliche Molmasse: 137,11 g/mol
Monoisotopische Masse: 137,02769197

Namen und Bezeichner

Bevorzugter Name: 4-Fluorophenyl isocyanate
IUPAC: 1-fluoro-4-isocyanatobenzene
Lokaler Name: 4-Fluorphenylisocyanat
Englischer Name: 4-Fluorophenyl isocyanate
Summenformel: C7H4FNO
Molmasse: 137.11

Namen und Synonyme

4-Fluorophenyl isocyanate1195-45-5Benzene, 1-fluoro-4-isocyanato-EINECS 214-799-0DTXSID00152472NSC 82348RefChem:523455DTXCID1074963206-966-1214-799-01-Fluoro-4-isocyanatobenzene4-fluorophenylisocyanate

Weitere Namen anzeigen

SB 01844AKOS B022528ZINC00164841F14335_ALDRICH4-Fluorphenylisocyanat4-Fluorophenyl isocyate

p-Fluorophenyl isocyanateMFCD000020231-fluoro-4-isocyanato-benzene4fluorophenyl isocyanatep-fluor-phenylisocyanateB2A7JE8GHWSCHEMBL93163NSC82348

Datenbank-Bezeichner

CAS: 1195-45-5
PubChem CID: 70955
DTXSID: DTXSID00152472
UNII: B2A7JE8GHW
EC Number: 214-799-0
Nikkaji: J149.484H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 146

Physikochemische Eigenschaften

Siedepunkt: 55 °C8 · 55 °C8 mm Hg(lit.)
Dichte: 1.206 g/mL · 1.206 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.5141(lit.)
Flammpunkt: 127 °F · 127 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: Decomposes
BRN: 471609 · 471609
InChI: 1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey: DSVGFKBFFICWLZ-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)N=C=O
CAS Datenbank: 1195 · 1195-45-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F: 1-10-19
wgk: 3
ridadr: UN 3080 6.1/PG 2
hs_code: 29291090
risk_code: 20/21/22-36-42-36/37/38-26
hazard_code: Xn,T,C,T+
hazard_note: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
safety_code: 23-26-36/37-45-38-28A
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden4-Fluorophenyl isocyanate acts as a reagent in the preparation of tris-ureas as transmembrane anion transporters, solid phase combinatorial synthesis of peptides as integrin inhibitors.